2-chloro-N-[4-(4,5-diformamidoimidazol-1-yl)phenyl]-4-fluorobenzamide

C18H13ClFN5O3 — CID 175304291

IUPAC2-chloro-N-[4-(4,5-diformamidoimidazol-1-yl)phenyl]-4-fluorobenzamide
SMILESO=CNc1ncn(-c2ccc(NC(=O)c3ccc(F)cc3Cl)cc2)c1NC=O
InChIInChI=1S/C18H13ClFN5O3/c19-15-7-11(20)1-6-14(15)18(28)24-12-2-4-13(5-3-12)25-8-21-16(22-9-26)17(25)23-10-27/h1-10H,(H,22,26)(H,23,27)(H,24,28)
InChIKeyOITYQSNNAPDPRL-UHFFFAOYSA-N
MW401.79 g/mol
LogP3.05
Rot. Bonds7

About 2-chloro-N-[4-(4,5-diformamidoimidazol-1-yl)phenyl]-4-fluorobenzamide

2-chloro-N-[4-(4,5-diformamidoimidazol-1-yl)phenyl]-4-fluorobenzamide (PubChem CID 175304291) has the molecular formula C18H13ClFN5O3 and a molecular weight of 401.79 g/mol. Its IUPAC name is 2-chloro-N-[4-(4,5-diformamidoimidazol-1-yl)phenyl]-4-fluorobenzamide.

Molecular Properties

Compound Name2-chloro-N-[4-(4,5-diformamidoimidazol-1-yl)phenyl]-4-fluorobenzamide
PubChem CID175304291
Molecular FormulaC18H13ClFN5O3
Molecular Weight401.79 g/mol
Exact Mass401.07
IUPAC Name2-chloro-N-[4-(4,5-diformamidoimidazol-1-yl)phenyl]-4-fluorobenzamide
SMILESO=CNc1ncn(-c2ccc(NC(=O)c3ccc(F)cc3Cl)cc2)c1NC=O
InChIInChI=1S/C18H13ClFN5O3/c19-15-7-11(20)1-6-14(15)18(28)24-12-2-4-13(5-3-12)25-8-21-16(22-9-26)17(25)23-10-27/h1-10H,(H,22,26)(H,23,27)(H,24,28)
InChIKeyOITYQSNNAPDPRL-UHFFFAOYSA-N
XLogP3.05
TPSA105.12 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.79
LogP ≤ 53.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 2-chloro-N-[4-(4,5-diformamidoimidazol-1-yl)phenyl]-4-fluorobenzamide 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-fluoro-N-[4-(4-prop-2-enoylpiperazin-1-yl)phenyl]benzamide
CID 172888663
4-[(2-chloro-4-fluorobenzoyl)amino]benzenesulfonyl chloride
CID 43096347
1-[4-[(2-chloro-4-fluorobenzoyl)amino]phenyl]-5-N-(oxan-4-ylmethyl)imidazole-4,5-dicarboxamide
CID 118419394
1-[4-[(2-chloro-4-fluorobenzoyl)amino]phenyl]-4-N-[2-(dimethylamino)-2-methylpropyl]imidazole-4,5-dicarboxamide
CID 118419425
2-chloro-N-(4-ethylphenyl)-4-fluorobenzamide
CID 26697286
1-[4-[(2-chloro-4-fluorobenzoyl)amino]phenyl]-4-N-[2-(2,6-dimethylpiperidin-1-yl)ethyl]imidazole-4,5-dicarboxamide
CID 118419024
2-chloro-4-fluoro-N-(4-piperazin-1-ylphenyl)benzamide;2,2,2-trifluoroacetic acid
CID 172895118
1-[4-[(2-chloro-4-fluorobenzoyl)amino]phenyl]-5-N-[2-[(3R)-3-methylpiperidin-1-yl]ethyl]imidazole-4,5-dicarboxamide
CID 118419417
1-[4-[(2-chloro-5-fluorobenzoyl)amino]phenyl]-4-N-methylimidazole-4,5-dicarboxamide
CID 118419005
methyl 4-[(2-chloro-4-fluorobenzoyl)amino]benzoate
CID 6469488
N-[4-[4-(2-amino-2-oxoethyl)-5-oxotetrazol-1-yl]phenyl]-2-chloro-4-fluorobenzamide
CID 71791110
2-chloro-N-(2,3-dihydro-1H-inden-5-yl)-4-fluorobenzamide
CID 6470489

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[4-(4,5-diformamidoimidazol-1-yl)phenyl]-4-fluorobenzamide?
The IUPAC name of 2-chloro-N-[4-(4,5-diformamidoimidazol-1-yl)phenyl]-4-fluorobenzamide (CID 175304291) is 2-chloro-N-[4-(4,5-diformamidoimidazol-1-yl)phenyl]-4-fluorobenzamide.
What is the SMILES notation for 2-chloro-N-[4-(4,5-diformamidoimidazol-1-yl)phenyl]-4-fluorobenzamide?
The canonical SMILES for 2-chloro-N-[4-(4,5-diformamidoimidazol-1-yl)phenyl]-4-fluorobenzamide is O=CNc1ncn(-c2ccc(NC(=O)c3ccc(F)cc3Cl)cc2)c1NC=O.
What is the InChIKey of 2-chloro-N-[4-(4,5-diformamidoimidazol-1-yl)phenyl]-4-fluorobenzamide?
The InChIKey is OITYQSNNAPDPRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClFN5O3/c19-15-7-11(20)1-6-14(15)18(28)24-12-2-4-13(5-3-12)25-8-21-16(22-9-26)17(25)23-10-27/h1-10H,(H,22,26)(H,23,27)(H,24,28).
What are the key properties of 2-chloro-N-[4-(4,5-diformamidoimidazol-1-yl)phenyl]-4-fluorobenzamide?
2-chloro-N-[4-(4,5-diformamidoimidazol-1-yl)phenyl]-4-fluorobenzamide has a molecular weight of 401.79 g/mol, XLogP of 3.05, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[4-(4,5-diformamidoimidazol-1-yl)phenyl]-4-fluorobenzamide is sourced from PubChem (CID 175304291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).