N-[3-[(3-chlorobenzoyl)amino]phenyl]naphthalene-2-carboxamide

C24H17ClN2O2 — CID 1366118

IUPACN-[3-[(3-chlorobenzoyl)amino]phenyl]naphthalene-2-carboxamide
SMILESO=C(Nc1cccc(NC(=O)c2ccc3ccccc3c2)c1)c1cccc(Cl)c1
InChIInChI=1S/C24H17ClN2O2/c25-20-8-3-7-18(14-20)23(28)26-21-9-4-10-22(15-21)27-24(29)19-12-11-16-5-1-2-6-17(16)13-19/h1-15H,(H,26,28)(H,27,29)
InChIKeyFOKLFLBXMQIZJM-UHFFFAOYSA-N
MW400.87 g/mol
LogP6.00
Rot. Bonds4

About N-[3-[(3-chlorobenzoyl)amino]phenyl]naphthalene-2-carboxamide

N-[3-[(3-chlorobenzoyl)amino]phenyl]naphthalene-2-carboxamide (PubChem CID 1366118) has the molecular formula C24H17ClN2O2 and a molecular weight of 400.87 g/mol. Its IUPAC name is N-[3-[(3-chlorobenzoyl)amino]phenyl]naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[3-[(3-chlorobenzoyl)amino]phenyl]naphthalene-2-carboxamide
PubChem CID1366118
Molecular FormulaC24H17ClN2O2
Molecular Weight400.87 g/mol
Exact Mass400.10
IUPAC NameN-[3-[(3-chlorobenzoyl)amino]phenyl]naphthalene-2-carboxamide
SMILESO=C(Nc1cccc(NC(=O)c2ccc3ccccc3c2)c1)c1cccc(Cl)c1
InChIInChI=1S/C24H17ClN2O2/c25-20-8-3-7-18(14-20)23(28)26-21-9-4-10-22(15-21)27-24(29)19-12-11-16-5-1-2-6-17(16)13-19/h1-15H,(H,26,28)(H,27,29)
InChIKeyFOKLFLBXMQIZJM-UHFFFAOYSA-N
XLogP6.00
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.87
LogP ≤ 56.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-N-[3-[(3-chlorobenzoyl)amino]phenyl]benzamide
CID 1369981
7-N-(3-chlorophenyl)-2-N-hydroxynaphthalene-2,7-dicarboxamide
CID 87468392
N-(3-acetylphenyl)naphthalene-2-carboxamide
CID 2274462
N-(3-acetamidophenyl)-3-chlorobenzamide
CID 669190
N-[4-(naphthalene-2-carbonylamino)phenyl]naphthalene-2-carboxamide
CID 5120135
N-[3-[(3-chlorobenzoyl)amino]phenyl]-1-benzofuran-2-carboxamide
CID 1136389
3-[[3-[(3-chlorobenzoyl)amino]benzoyl]amino]benzoate
CID 3383614
3-chloro-N-(3-methylphenyl)benzamide
CID 722373
3-chloro-N-[3-(2,2-dimethylpropanoylamino)phenyl]benzamide
CID 17102477
N-[3-(naphthalene-2-carbonylamino)phenyl]thiophene-2-carboxamide
CID 1334806
N-(3,4-difluorophenyl)naphthalene-2-carboxamide
CID 7771728
3-chloro-N-[3-(sulfamoylamino)phenyl]benzamide
CID 60729874

Frequently Asked Questions

What is the IUPAC name of N-[3-[(3-chlorobenzoyl)amino]phenyl]naphthalene-2-carboxamide?
The IUPAC name of N-[3-[(3-chlorobenzoyl)amino]phenyl]naphthalene-2-carboxamide (CID 1366118) is N-[3-[(3-chlorobenzoyl)amino]phenyl]naphthalene-2-carboxamide.
What is the SMILES notation for N-[3-[(3-chlorobenzoyl)amino]phenyl]naphthalene-2-carboxamide?
The canonical SMILES for N-[3-[(3-chlorobenzoyl)amino]phenyl]naphthalene-2-carboxamide is O=C(Nc1cccc(NC(=O)c2ccc3ccccc3c2)c1)c1cccc(Cl)c1.
What is the InChIKey of N-[3-[(3-chlorobenzoyl)amino]phenyl]naphthalene-2-carboxamide?
The InChIKey is FOKLFLBXMQIZJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17ClN2O2/c25-20-8-3-7-18(14-20)23(28)26-21-9-4-10-22(15-21)27-24(29)19-12-11-16-5-1-2-6-17(16)13-19/h1-15H,(H,26,28)(H,27,29).
What are the key properties of N-[3-[(3-chlorobenzoyl)amino]phenyl]naphthalene-2-carboxamide?
N-[3-[(3-chlorobenzoyl)amino]phenyl]naphthalene-2-carboxamide has a molecular weight of 400.87 g/mol, XLogP of 6.00, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(3-chlorobenzoyl)amino]phenyl]naphthalene-2-carboxamide is sourced from PubChem (CID 1366118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).