2-chloro-4-[[3-(4-methoxypyrimidin-2-yl)-3-oxopropanoyl]-(naphthalen-2-ylmethyl)amino]benzamide

C26H21ClN4O4 — CID 505120

IUPAC2-chloro-4-[[3-(4-methoxypyrimidin-2-yl)-3-oxopropanoyl]-(naphthalen-2-ylmethyl)amino]benzamide
SMILESCOc1ccnc(C(=O)CC(=O)N(Cc2ccc3ccccc3c2)c2ccc(C(N)=O)c(Cl)c2)n1
InChIInChI=1S/C26H21ClN4O4/c1-35-23-10-11-29-26(30-23)22(32)14-24(33)31(19-8-9-20(25(28)34)21(27)13-19)15-16-6-7-17-4-2-3-5-18(17)12-16/h2-13H,14-15H2,1H3,(H2,28,34)
InChIKeyNZIAVVXKXRCKQP-UHFFFAOYSA-N
MW488.93 g/mol
LogP4.20
Rot. Bonds8

About 2-chloro-4-[[3-(4-methoxypyrimidin-2-yl)-3-oxopropanoyl]-(naphthalen-2-ylmethyl)amino]benzamide

2-chloro-4-[[3-(4-methoxypyrimidin-2-yl)-3-oxopropanoyl]-(naphthalen-2-ylmethyl)amino]benzamide (PubChem CID 505120) has the molecular formula C26H21ClN4O4 and a molecular weight of 488.93 g/mol. Its IUPAC name is 2-chloro-4-[[3-(4-methoxypyrimidin-2-yl)-3-oxopropanoyl]-(naphthalen-2-ylmethyl)amino]benzamide.

Molecular Properties

Compound Name2-chloro-4-[[3-(4-methoxypyrimidin-2-yl)-3-oxopropanoyl]-(naphthalen-2-ylmethyl)amino]benzamide
PubChem CID505120
Molecular FormulaC26H21ClN4O4
Molecular Weight488.93 g/mol
Exact Mass488.13
IUPAC Name2-chloro-4-[[3-(4-methoxypyrimidin-2-yl)-3-oxopropanoyl]-(naphthalen-2-ylmethyl)amino]benzamide
SMILESCOc1ccnc(C(=O)CC(=O)N(Cc2ccc3ccccc3c2)c2ccc(C(N)=O)c(Cl)c2)n1
InChIInChI=1S/C26H21ClN4O4/c1-35-23-10-11-29-26(30-23)22(32)14-24(33)31(19-8-9-20(25(28)34)21(27)13-19)15-16-6-7-17-4-2-3-5-18(17)12-16/h2-13H,14-15H2,1H3,(H2,28,34)
InChIKeyNZIAVVXKXRCKQP-UHFFFAOYSA-N
XLogP4.20
TPSA115.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.93
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 2-chloro-4-[[3-(4-methoxypyrimidin-2-yl)-3-oxopropanoyl]-(naphthalen-2-ylmethyl)amino]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-Chloro-4-[(3,4-dichlorophenyl)methyl-[3-(4-methoxypyrimidin-2-yl)-3-oxo-propanoyl]amino]benzamide
CID 504984
2-chloro-4-[[3-(4-methoxypyrimidin-2-yl)-3-oxo-propanoyl]-(2-naphthylmethyl)amino]-N,N-dimethyl-benzamide
CID 505117
2-Chloro-4-[2-naphthylmethyl-(3-oxo-3-pyrimidin-2-yl-propanoyl)amino]benzamide
CID 505122
2-Chloro-4-[[3-(4-methoxypyrimidin-2-yl)-3-oxo-propanoyl]-(2-naphthylmethyl)amino]benzoic acid
CID 505124
3-[(4-amino-3,5-dichloro-phenyl)methyl-[3-(4-methoxypyrimidin-2-yl)-3-oxo-propanoyl]amino]-N,N-dimethyl-benzamide
CID 505221
5-{(3-Chloro-benzyl)-[3-(4-methoxy-pyrimidin-2-yl)-3-oxo-propionyl]-amino}-N,N-dimethyl-isophthalamide
CID 505223
2-chloro-N,N-dimethyl-5-[2-naphthylmethyl-(3-oxo-3-pyrimidin-2-yl-propanoyl)amino]benzamide
CID 505043
2-chloro-N,N-dimethyl-4-[2-naphthylmethyl-(3-oxo-3-pyrimidin-2-yl-propanoyl)amino]benzamide
CID 505109
5-{[3-(4-Methoxy-pyrimidin-2-yl)-3-oxo-propionyl]-naphthalen-2-ylmethyl-amino}-N,N,N',N'-tetramethyl-isophthalamide
CID 505118
3-[[3-(4-methoxypyrimidin-2-yl)-3-oxo-propanoyl]-(2-naphthylmethyl)amino]-N,N-dimethyl-benzamide
CID 505119
4-[[3-(4-Methoxypyrimidin-2-yl)-3-oxo-propanoyl]-(2-naphthylmethyl)amino]benzoic acid
CID 505121
4-[[3-(4-methoxypyrimidin-2-yl)-3-oxo-propanoyl]-(2-naphthylmethyl)amino]-N,N-dimethyl-benzamide
CID 505125

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[[3-(4-methoxypyrimidin-2-yl)-3-oxopropanoyl]-(naphthalen-2-ylmethyl)amino]benzamide?
The IUPAC name of 2-chloro-4-[[3-(4-methoxypyrimidin-2-yl)-3-oxopropanoyl]-(naphthalen-2-ylmethyl)amino]benzamide (CID 505120) is 2-chloro-4-[[3-(4-methoxypyrimidin-2-yl)-3-oxopropanoyl]-(naphthalen-2-ylmethyl)amino]benzamide.
What is the SMILES notation for 2-chloro-4-[[3-(4-methoxypyrimidin-2-yl)-3-oxopropanoyl]-(naphthalen-2-ylmethyl)amino]benzamide?
The canonical SMILES for 2-chloro-4-[[3-(4-methoxypyrimidin-2-yl)-3-oxopropanoyl]-(naphthalen-2-ylmethyl)amino]benzamide is COc1ccnc(C(=O)CC(=O)N(Cc2ccc3ccccc3c2)c2ccc(C(N)=O)c(Cl)c2)n1.
What is the InChIKey of 2-chloro-4-[[3-(4-methoxypyrimidin-2-yl)-3-oxopropanoyl]-(naphthalen-2-ylmethyl)amino]benzamide?
The InChIKey is NZIAVVXKXRCKQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21ClN4O4/c1-35-23-10-11-29-26(30-23)22(32)14-24(33)31(19-8-9-20(25(28)34)21(27)13-19)15-16-6-7-17-4-2-3-5-18(17)12-16/h2-13H,14-15H2,1H3,(H2,28,34).
What are the key properties of 2-chloro-4-[[3-(4-methoxypyrimidin-2-yl)-3-oxopropanoyl]-(naphthalen-2-ylmethyl)amino]benzamide?
2-chloro-4-[[3-(4-methoxypyrimidin-2-yl)-3-oxopropanoyl]-(naphthalen-2-ylmethyl)amino]benzamide has a molecular weight of 488.93 g/mol, XLogP of 4.20, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[[3-(4-methoxypyrimidin-2-yl)-3-oxopropanoyl]-(naphthalen-2-ylmethyl)amino]benzamide is sourced from PubChem (CID 505120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).