N-(3-benzamido-4-chlorophenyl)naphthalene-1-carboxamide

C24H17ClN2O2 — CID 1104039

IUPACN-(3-benzamido-4-chlorophenyl)naphthalene-1-carboxamide
SMILESO=C(Nc1cc(NC(=O)c2cccc3ccccc23)ccc1Cl)c1ccccc1
InChIInChI=1S/C24H17ClN2O2/c25-21-14-13-18(15-22(21)27-23(28)17-8-2-1-3-9-17)26-24(29)20-12-6-10-16-7-4-5-11-19(16)20/h1-15H,(H,26,29)(H,27,28)
InChIKeyKPEYVOXHVOOXLU-UHFFFAOYSA-N
MW400.87 g/mol
LogP6.00
Rot. Bonds4

About N-(3-benzamido-4-chlorophenyl)naphthalene-1-carboxamide

N-(3-benzamido-4-chlorophenyl)naphthalene-1-carboxamide (PubChem CID 1104039) has the molecular formula C24H17ClN2O2 and a molecular weight of 400.87 g/mol. Its IUPAC name is N-(3-benzamido-4-chlorophenyl)naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-(3-benzamido-4-chlorophenyl)naphthalene-1-carboxamide
PubChem CID1104039
Molecular FormulaC24H17ClN2O2
Molecular Weight400.87 g/mol
Exact Mass400.10
IUPAC NameN-(3-benzamido-4-chlorophenyl)naphthalene-1-carboxamide
SMILESO=C(Nc1cc(NC(=O)c2cccc3ccccc23)ccc1Cl)c1ccccc1
InChIInChI=1S/C24H17ClN2O2/c25-21-14-13-18(15-22(21)27-23(28)17-8-2-1-3-9-17)26-24(29)20-12-6-10-16-7-4-5-11-19(16)20/h1-15H,(H,26,29)(H,27,28)
InChIKeyKPEYVOXHVOOXLU-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

N-(3-benzamido-4-chlorophenyl)-2-iodobenzamide
CID 1104044
N-[3-chloro-4-(naphthalene-1-carbonylamino)phenyl]naphthalene-1-carboxamide
CID 2179861
N-(3-benzamido-4-chlorophenyl)-2-fluorobenzamide
CID 1104031
N-(3-benzamido-4-chlorophenyl)-6-chloro-2-methylpyridine-3-carboxamide
CID 16730950
N-[3-(naphthalene-1-carbonylamino)phenyl]pyridine-4-carboxamide
CID 55610557
N-[4-[(2-methylphenyl)carbamoyl]phenyl]naphthalene-1-carboxamide
CID 2988389
N-(3-benzamido-4-chlorophenyl)-3-nitrobenzamide
CID 4620848
N-[6-(4-benzamidophenyl)-3-pyridinyl]naphthalene-1-carboxamide
CID 170422622
N-[3-[(2-methoxyphenyl)carbamoyl]phenyl]naphthalene-1-carboxamide
CID 34636649
N-(4-iodophenyl)naphthalene-1-carboxamide
CID 1019200
N-(2-chloro-4-iodophenyl)naphthalene-1-carboxamide
CID 1370762
N-(2-phenylbenzotriazol-5-yl)naphthalene-1-carboxamide
CID 3116204

Frequently Asked Questions

What is the IUPAC name of N-(3-benzamido-4-chlorophenyl)naphthalene-1-carboxamide?
The IUPAC name of N-(3-benzamido-4-chlorophenyl)naphthalene-1-carboxamide (CID 1104039) is N-(3-benzamido-4-chlorophenyl)naphthalene-1-carboxamide.
What is the SMILES notation for N-(3-benzamido-4-chlorophenyl)naphthalene-1-carboxamide?
The canonical SMILES for N-(3-benzamido-4-chlorophenyl)naphthalene-1-carboxamide is O=C(Nc1cc(NC(=O)c2cccc3ccccc23)ccc1Cl)c1ccccc1.
What is the InChIKey of N-(3-benzamido-4-chlorophenyl)naphthalene-1-carboxamide?
The InChIKey is KPEYVOXHVOOXLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17ClN2O2/c25-21-14-13-18(15-22(21)27-23(28)17-8-2-1-3-9-17)26-24(29)20-12-6-10-16-7-4-5-11-19(16)20/h1-15H,(H,26,29)(H,27,28).
What are the key properties of N-(3-benzamido-4-chlorophenyl)naphthalene-1-carboxamide?
N-(3-benzamido-4-chlorophenyl)naphthalene-1-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-benzamido-4-chlorophenyl)naphthalene-1-carboxamide is sourced from PubChem (CID 1104039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).