2-[3-(4-chlorophenyl)pentan-3-ylamino]-N-(2,4-difluorophenyl)acetamide

C19H21ClF2N2O — CID 56527010

IUPAC2-[3-(4-chlorophenyl)pentan-3-ylamino]-N-(2,4-difluorophenyl)acetamide
SMILESCCC(CC)(NCC(=O)Nc1ccc(F)cc1F)c1ccc(Cl)cc1
InChIInChI=1S/C19H21ClF2N2O/c1-3-19(4-2,13-5-7-14(20)8-6-13)23-12-18(25)24-17-10-9-15(21)11-16(17)22/h5-11,23H,3-4,12H2,1-2H3,(H,24,25)
InChIKeyOLIHOIGUVNSQQN-UHFFFAOYSA-N
MW366.84 g/mol
LogP4.86
Rot. Bonds7

About 2-[3-(4-chlorophenyl)pentan-3-ylamino]-N-(2,4-difluorophenyl)acetamide

2-[3-(4-chlorophenyl)pentan-3-ylamino]-N-(2,4-difluorophenyl)acetamide (PubChem CID 56527010) has the molecular formula C19H21ClF2N2O and a molecular weight of 366.84 g/mol. Its IUPAC name is 2-[3-(4-chlorophenyl)pentan-3-ylamino]-N-(2,4-difluorophenyl)acetamide.

Molecular Properties

Compound Name2-[3-(4-chlorophenyl)pentan-3-ylamino]-N-(2,4-difluorophenyl)acetamide
PubChem CID56527010
Molecular FormulaC19H21ClF2N2O
Molecular Weight366.84 g/mol
Exact Mass366.13
IUPAC Name2-[3-(4-chlorophenyl)pentan-3-ylamino]-N-(2,4-difluorophenyl)acetamide
SMILESCCC(CC)(NCC(=O)Nc1ccc(F)cc1F)c1ccc(Cl)cc1
InChIInChI=1S/C19H21ClF2N2O/c1-3-19(4-2,13-5-7-14(20)8-6-13)23-12-18(25)24-17-10-9-15(21)11-16(17)22/h5-11,23H,3-4,12H2,1-2H3,(H,24,25)
InChIKeyOLIHOIGUVNSQQN-UHFFFAOYSA-N
XLogP4.86
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.84
LogP ≤ 54.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[2-(2,4-difluoroanilino)-2-oxoethyl]amino]-2-methylpropanoic acid
CID 65263881
2-[(4-chlorophenyl)methylamino]-N-(2,4-difluorophenyl)acetamide
CID 4555124
2-(2,4-difluoroanilino)-N-(2,4-difluorophenyl)acetamide
CID 109011050
N-(2,4-difluorophenyl)-2-(2-ethyl-6-methylanilino)acetamide
CID 33004326
N'-(2,6-diethylphenyl)-N-(2,4-difluorophenyl)propanediamide
CID 108954543
N-(4-chlorophenyl)-N'-(2,4-difluorophenyl)-2,2-dimethylpropanediamide
CID 108969011
N-(4-chlorophenyl)-2-[[2-(2,4-difluoroanilino)-2-oxoethyl]-methylamino]acetamide
CID 4818872
N-(4-tert-butylphenyl)-2-(2,4-difluoroanilino)acetamide
CID 109008349
N-(4-chloro-2-fluorophenyl)-2-(4-fluorophenyl)acetamide
CID 7961331
2-(2-chloro-4,6-dimethylanilino)-N-(2,4-difluorophenyl)acetamide
CID 42125098
2-(4-chloro-2-methylphenoxy)-N-(2,4-difluorophenyl)acetamide
CID 3945608
3-[acetyl-[(4-chlorophenyl)methyl]amino]-N-(2,4-difluorophenyl)propanamide
CID 113119688

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-chlorophenyl)pentan-3-ylamino]-N-(2,4-difluorophenyl)acetamide?
The IUPAC name of 2-[3-(4-chlorophenyl)pentan-3-ylamino]-N-(2,4-difluorophenyl)acetamide (CID 56527010) is 2-[3-(4-chlorophenyl)pentan-3-ylamino]-N-(2,4-difluorophenyl)acetamide.
What is the SMILES notation for 2-[3-(4-chlorophenyl)pentan-3-ylamino]-N-(2,4-difluorophenyl)acetamide?
The canonical SMILES for 2-[3-(4-chlorophenyl)pentan-3-ylamino]-N-(2,4-difluorophenyl)acetamide is CCC(CC)(NCC(=O)Nc1ccc(F)cc1F)c1ccc(Cl)cc1.
What is the InChIKey of 2-[3-(4-chlorophenyl)pentan-3-ylamino]-N-(2,4-difluorophenyl)acetamide?
The InChIKey is OLIHOIGUVNSQQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClF2N2O/c1-3-19(4-2,13-5-7-14(20)8-6-13)23-12-18(25)24-17-10-9-15(21)11-16(17)22/h5-11,23H,3-4,12H2,1-2H3,(H,24,25).
What are the key properties of 2-[3-(4-chlorophenyl)pentan-3-ylamino]-N-(2,4-difluorophenyl)acetamide?
2-[3-(4-chlorophenyl)pentan-3-ylamino]-N-(2,4-difluorophenyl)acetamide has a molecular weight of 366.84 g/mol, XLogP of 4.86, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-chlorophenyl)pentan-3-ylamino]-N-(2,4-difluorophenyl)acetamide is sourced from PubChem (CID 56527010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).