N-(4-chloro-2-methoxyphenyl)-2-[2-[[[3-(dimethylamino)benzoyl]amino]carbamoyl]phenoxy]acetamide

C25H25ClN4O5 — CID 27681200

IUPACN-(4-chloro-2-methoxyphenyl)-2-[2-[[[3-(dimethylamino)benzoyl]amino]carbamoyl]phenoxy]acetamide
SMILESCOc1cc(Cl)ccc1NC(=O)COc1ccccc1C(=O)NNC(=O)c1cccc(N(C)C)c1
InChIInChI=1S/C25H25ClN4O5/c1-30(2)18-8-6-7-16(13-18)24(32)28-29-25(33)19-9-4-5-10-21(19)35-15-23(31)27-20-12-11-17(26)14-22(20)34-3/h4-14H,15H2,1-3H3,(H,27,31)(H,28,32)(H,29,33)
InChIKeyJTDLGZPRVKWJSH-UHFFFAOYSA-N
MW496.95 g/mol
LogP3.51
Rot. Bonds8

About N-(4-chloro-2-methoxyphenyl)-2-[2-[[[3-(dimethylamino)benzoyl]amino]carbamoyl]phenoxy]acetamide

N-(4-chloro-2-methoxyphenyl)-2-[2-[[[3-(dimethylamino)benzoyl]amino]carbamoyl]phenoxy]acetamide (PubChem CID 27681200) has the molecular formula C25H25ClN4O5 and a molecular weight of 496.95 g/mol. Its IUPAC name is N-(4-chloro-2-methoxyphenyl)-2-[2-[[[3-(dimethylamino)benzoyl]amino]carbamoyl]phenoxy]acetamide.

Molecular Properties

Compound NameN-(4-chloro-2-methoxyphenyl)-2-[2-[[[3-(dimethylamino)benzoyl]amino]carbamoyl]phenoxy]acetamide
PubChem CID27681200
Molecular FormulaC25H25ClN4O5
Molecular Weight496.95 g/mol
Exact Mass496.15
IUPAC NameN-(4-chloro-2-methoxyphenyl)-2-[2-[[[3-(dimethylamino)benzoyl]amino]carbamoyl]phenoxy]acetamide
SMILESCOc1cc(Cl)ccc1NC(=O)COc1ccccc1C(=O)NNC(=O)c1cccc(N(C)C)c1
InChIInChI=1S/C25H25ClN4O5/c1-30(2)18-8-6-7-16(13-18)24(32)28-29-25(33)19-9-4-5-10-21(19)35-15-23(31)27-20-12-11-17(26)14-22(20)34-3/h4-14H,15H2,1-3H3,(H,27,31)(H,28,32)(H,29,33)
InChIKeyJTDLGZPRVKWJSH-UHFFFAOYSA-N
XLogP3.51
TPSA109.00 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.95
LogP ≤ 53.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(4-chloro-2-methoxyphenyl)-2-[2-[[(4-methylbenzoyl)amino]carbamoyl]phenoxy]acetamide
CID 26854426
N-(4-chloro-2-methoxyphenyl)-2-[2-[[[2-(4-methoxyphenyl)acetyl]amino]carbamoyl]phenoxy]acetamide
CID 27681196
[2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 3-(dimethylamino)benzoate
CID 2458837
N-(2,4-dichlorophenyl)-2-(2-methoxyphenoxy)acetamide
CID 923080
N'-benzoyl-4-chloro-2-methoxybenzohydrazide
CID 34594179
N'-[3-(dimethylamino)benzoyl]-3-methoxy-4-methylbenzohydrazide
CID 26831201
4-chloro-2-methoxy-N'-(2-phenoxyacetyl)benzohydrazide
CID 29279191
N-(4-amino-2-methoxyphenyl)-3-(dimethylamino)benzamide
CID 43329162
N-(2,4-dimethoxyphenyl)-2-[2-(2-fluoroanilino)-2-oxoethoxy]benzamide
CID 26735156
N-[4-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-2,5-dimethoxyphenyl]benzamide
CID 19180531
2-[2-(5-chloro-2,4-dimethoxyanilino)-2-oxoethoxy]-N-phenylbenzamide
CID 41428663
N-[(5-chloro-2-methoxyphenyl)methyl]-2-[2-(2-fluoroanilino)-2-oxoethoxy]benzamide
CID 78887246

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methoxyphenyl)-2-[2-[[[3-(dimethylamino)benzoyl]amino]carbamoyl]phenoxy]acetamide?
The IUPAC name of N-(4-chloro-2-methoxyphenyl)-2-[2-[[[3-(dimethylamino)benzoyl]amino]carbamoyl]phenoxy]acetamide (CID 27681200) is N-(4-chloro-2-methoxyphenyl)-2-[2-[[[3-(dimethylamino)benzoyl]amino]carbamoyl]phenoxy]acetamide.
What is the SMILES notation for N-(4-chloro-2-methoxyphenyl)-2-[2-[[[3-(dimethylamino)benzoyl]amino]carbamoyl]phenoxy]acetamide?
The canonical SMILES for N-(4-chloro-2-methoxyphenyl)-2-[2-[[[3-(dimethylamino)benzoyl]amino]carbamoyl]phenoxy]acetamide is COc1cc(Cl)ccc1NC(=O)COc1ccccc1C(=O)NNC(=O)c1cccc(N(C)C)c1.
What is the InChIKey of N-(4-chloro-2-methoxyphenyl)-2-[2-[[[3-(dimethylamino)benzoyl]amino]carbamoyl]phenoxy]acetamide?
The InChIKey is JTDLGZPRVKWJSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25ClN4O5/c1-30(2)18-8-6-7-16(13-18)24(32)28-29-25(33)19-9-4-5-10-21(19)35-15-23(31)27-20-12-11-17(26)14-22(20)34-3/h4-14H,15H2,1-3H3,(H,27,31)(H,28,32)(H,29,33).
What are the key properties of N-(4-chloro-2-methoxyphenyl)-2-[2-[[[3-(dimethylamino)benzoyl]amino]carbamoyl]phenoxy]acetamide?
N-(4-chloro-2-methoxyphenyl)-2-[2-[[[3-(dimethylamino)benzoyl]amino]carbamoyl]phenoxy]acetamide has a molecular weight of 496.95 g/mol, XLogP of 3.51, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-methoxyphenyl)-2-[2-[[[3-(dimethylamino)benzoyl]amino]carbamoyl]phenoxy]acetamide is sourced from PubChem (CID 27681200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).