N-[1-[5-chloro-2-[2-(ethylamino)-2-oxoethoxy]phenyl]ethyl]-2-[2,6-difluoro-3-(2-pyridin-2-ylethylamino)phenyl]acetamide

C27H29ClF2N4O3 — CID 10143217

IUPACN-[1-[5-chloro-2-[2-(ethylamino)-2-oxoethoxy]phenyl]ethyl]-2-[2,6-difluoro-3-(2-pyridin-2-ylethylamino)phenyl]acetamide
SMILESCCNC(=O)COc1ccc(Cl)cc1C(C)NC(=O)Cc1c(F)ccc(NCCc2ccccn2)c1F
InChIInChI=1S/C27H29ClF2N4O3/c1-3-31-26(36)16-37-24-10-7-18(28)14-20(24)17(2)34-25(35)15-21-22(29)8-9-23(27(21)30)33-13-11-19-6-4-5-12-32-19/h4-10,12,14,17,33H,3,11,13,15-16H2,1-2H3,(H,31,36)(H,34,35)
InChIKeyOZFFJAKFIZHWJN-UHFFFAOYSA-N
MW531.00 g/mol
LogP4.60
Rot. Bonds12

About N-[1-[5-chloro-2-[2-(ethylamino)-2-oxoethoxy]phenyl]ethyl]-2-[2,6-difluoro-3-(2-pyridin-2-ylethylamino)phenyl]acetamide

N-[1-[5-chloro-2-[2-(ethylamino)-2-oxoethoxy]phenyl]ethyl]-2-[2,6-difluoro-3-(2-pyridin-2-ylethylamino)phenyl]acetamide (PubChem CID 10143217) has the molecular formula C27H29ClF2N4O3 and a molecular weight of 531.00 g/mol. Its IUPAC name is N-[1-[5-chloro-2-[2-(ethylamino)-2-oxoethoxy]phenyl]ethyl]-2-[2,6-difluoro-3-(2-pyridin-2-ylethylamino)phenyl]acetamide.

Molecular Properties

Compound NameN-[1-[5-chloro-2-[2-(ethylamino)-2-oxoethoxy]phenyl]ethyl]-2-[2,6-difluoro-3-(2-pyridin-2-ylethylamino)phenyl]acetamide
PubChem CID10143217
Molecular FormulaC27H29ClF2N4O3
Molecular Weight531.00 g/mol
Exact Mass530.19
IUPAC NameN-[1-[5-chloro-2-[2-(ethylamino)-2-oxoethoxy]phenyl]ethyl]-2-[2,6-difluoro-3-(2-pyridin-2-ylethylamino)phenyl]acetamide
SMILESCCNC(=O)COc1ccc(Cl)cc1C(C)NC(=O)Cc1c(F)ccc(NCCc2ccccn2)c1F
InChIInChI=1S/C27H29ClF2N4O3/c1-3-31-26(36)16-37-24-10-7-18(28)14-20(24)17(2)34-25(35)15-21-22(29)8-9-23(27(21)30)33-13-11-19-6-4-5-12-32-19/h4-10,12,14,17,33H,3,11,13,15-16H2,1-2H3,(H,31,36)(H,34,35)
InChIKeyOZFFJAKFIZHWJN-UHFFFAOYSA-N
XLogP4.60
TPSA92.35 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500531.00
LogP ≤ 54.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-chloro-2-((2-(6-methyl-2-oxo-3-(2-(pyridin-2-yl)ethylamino)pyrazin-1(2H)-yl)acetamido)methyl)phenoxy)-N-cyclopropylacetamide
CID 53317095
2-[4-chloro-2-(3,5-difluorobenzoyl)phenoxy]-N-(6-methoxy-3-pyridyl)acetamide
CID 9802880
2-[4-chloro-2-(3,5-difluorobenzoyl)phenoxy]-N-(6-chloro-3-pyridyl)acetamide
CID 11546611
N-(3-{[(4-chlorophenoxy)acetyl]amino}propyl)-6-methylpyridine-3-carboxamide
CID 6498662
4-[2-(5-chloro-2-phenylmethoxyphenyl)-5-methylpyrrol-1-yl]-N-(pyridin-3-ylmethyl)benzamide
CID 44432350
4-{2-[5-Chloro-2-(benzyloxy)-phenyl]-5-methyl-pyrrol-1-yl}-N-(pyridin-4-ylmethyl)-benzamide
CID 44432353
3-[2-(5-chloro-2-phenylmethoxyphenyl)-5-methylpyrrol-1-yl]-N-(pyridin-3-ylmethyl)benzamide
CID 44432362
3-{2-[5-Chloro-2-(benzyloxy)-phenyl]-5-methyl-pyrrol-1-yl}-N-(pyridin-4-ylmethyl)-benzamide
CID 44432365
2-(4-chloro-2-methylphenoxy)-N-(pyridin-4-yl)acetamide
CID 823402
4-(4-chloro-2-methylphenoxy)-N-(pyridin-2-ylmethyl)butanamide
CID 3111311
4-[2-(4-Chloro-phenoxy)-acetylamino]-N-pyridin-3-ylmethyl-benzamide
CID 1150809
1-[2-(4-chlorophenoxy)ethyl]-N-[(2-methoxyphenyl)-pyridin-2-ylmethyl]piperidine-4-carboxamide
CID 49795743

Frequently Asked Questions

What is the IUPAC name of N-[1-[5-chloro-2-[2-(ethylamino)-2-oxoethoxy]phenyl]ethyl]-2-[2,6-difluoro-3-(2-pyridin-2-ylethylamino)phenyl]acetamide?
The IUPAC name of N-[1-[5-chloro-2-[2-(ethylamino)-2-oxoethoxy]phenyl]ethyl]-2-[2,6-difluoro-3-(2-pyridin-2-ylethylamino)phenyl]acetamide (CID 10143217) is N-[1-[5-chloro-2-[2-(ethylamino)-2-oxoethoxy]phenyl]ethyl]-2-[2,6-difluoro-3-(2-pyridin-2-ylethylamino)phenyl]acetamide.
What is the SMILES notation for N-[1-[5-chloro-2-[2-(ethylamino)-2-oxoethoxy]phenyl]ethyl]-2-[2,6-difluoro-3-(2-pyridin-2-ylethylamino)phenyl]acetamide?
The canonical SMILES for N-[1-[5-chloro-2-[2-(ethylamino)-2-oxoethoxy]phenyl]ethyl]-2-[2,6-difluoro-3-(2-pyridin-2-ylethylamino)phenyl]acetamide is CCNC(=O)COc1ccc(Cl)cc1C(C)NC(=O)Cc1c(F)ccc(NCCc2ccccn2)c1F.
What is the InChIKey of N-[1-[5-chloro-2-[2-(ethylamino)-2-oxoethoxy]phenyl]ethyl]-2-[2,6-difluoro-3-(2-pyridin-2-ylethylamino)phenyl]acetamide?
The InChIKey is OZFFJAKFIZHWJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29ClF2N4O3/c1-3-31-26(36)16-37-24-10-7-18(28)14-20(24)17(2)34-25(35)15-21-22(29)8-9-23(27(21)30)33-13-11-19-6-4-5-12-32-19/h4-10,12,14,17,33H,3,11,13,15-16H2,1-2H3,(H,31,36)(H,34,35).
What are the key properties of N-[1-[5-chloro-2-[2-(ethylamino)-2-oxoethoxy]phenyl]ethyl]-2-[2,6-difluoro-3-(2-pyridin-2-ylethylamino)phenyl]acetamide?
N-[1-[5-chloro-2-[2-(ethylamino)-2-oxoethoxy]phenyl]ethyl]-2-[2,6-difluoro-3-(2-pyridin-2-ylethylamino)phenyl]acetamide has a molecular weight of 531.00 g/mol, XLogP of 4.60, 12 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[5-chloro-2-[2-(ethylamino)-2-oxoethoxy]phenyl]ethyl]-2-[2,6-difluoro-3-(2-pyridin-2-ylethylamino)phenyl]acetamide is sourced from PubChem (CID 10143217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).