N-[3-chloro-4-(naphthalene-1-carbonylamino)phenyl]naphthalene-1-carboxamide

C28H19ClN2O2 — CID 2179861

IUPACN-[3-chloro-4-(naphthalene-1-carbonylamino)phenyl]naphthalene-1-carboxamide
SMILESO=C(Nc1ccc(NC(=O)c2cccc3ccccc23)c(Cl)c1)c1cccc2ccccc12
InChIInChI=1S/C28H19ClN2O2/c29-25-17-20(30-27(32)23-13-5-9-18-7-1-3-11-21(18)23)15-16-26(25)31-28(33)24-14-6-10-19-8-2-4-12-22(19)24/h1-17H,(H,30,32)(H,31,33)
InChIKeyWBWJBRYEXMROJC-UHFFFAOYSA-N
MW450.93 g/mol
LogP7.15
Rot. Bonds4

About N-[3-chloro-4-(naphthalene-1-carbonylamino)phenyl]naphthalene-1-carboxamide

N-[3-chloro-4-(naphthalene-1-carbonylamino)phenyl]naphthalene-1-carboxamide (PubChem CID 2179861) has the molecular formula C28H19ClN2O2 and a molecular weight of 450.93 g/mol. Its IUPAC name is N-[3-chloro-4-(naphthalene-1-carbonylamino)phenyl]naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-[3-chloro-4-(naphthalene-1-carbonylamino)phenyl]naphthalene-1-carboxamide
PubChem CID2179861
Molecular FormulaC28H19ClN2O2
Molecular Weight450.93 g/mol
Exact Mass450.11
IUPAC NameN-[3-chloro-4-(naphthalene-1-carbonylamino)phenyl]naphthalene-1-carboxamide
SMILESO=C(Nc1ccc(NC(=O)c2cccc3ccccc23)c(Cl)c1)c1cccc2ccccc12
InChIInChI=1S/C28H19ClN2O2/c29-25-17-20(30-27(32)23-13-5-9-18-7-1-3-11-21(18)23)15-16-26(25)31-28(33)24-14-6-10-19-8-2-4-12-22(19)24/h1-17H,(H,30,32)(H,31,33)
InChIKeyWBWJBRYEXMROJC-UHFFFAOYSA-N
XLogP7.15
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.93
LogP ≤ 57.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-chloro-4-iodophenyl)naphthalene-1-carboxamide
CID 1370762
N-(3-benzamido-4-chlorophenyl)naphthalene-1-carboxamide
CID 1104039
N-[2-chloro-4-(1,3-dioxoisoindol-2-yl)phenyl]naphthalene-1-carboxamide
CID 5153626
N-(4-iodophenyl)naphthalene-1-carboxamide
CID 1019200
N-[[3-[(2-chlorobenzoyl)amino]phenyl]carbamothioyl]naphthalene-1-carboxamide
CID 1342378
N-(3-fluoro-4-hydroxyphenyl)naphthalene-1-carboxamide
CID 64781251
N-(4-acetamido-3-chlorophenyl)-2-aminobenzamide
CID 43402960
5-bromo-2-(naphthalene-1-carbonylamino)benzoic acid
CID 10090515
N-(5-chloro-2,4-dimethoxyphenyl)naphthalene-1-carboxamide
CID 823910
N-[2-chloro-4-[(2-chlorobenzoyl)amino]phenyl]furan-2-carboxamide
CID 4308074
N-[3-chloro-4-[[3-hydroxy-4-[[2-methoxy-3-(phenylcarbamoyl)phenyl]diazenyl]naphthalene-2-carbonyl]amino]phenyl]-3-hydroxy-4-[[2-methoxy-3-(phenylcarbamoyl)phenyl]diazenyl]naphthalene-2-carboxamide
CID 177482631
3-(4-amino-2-chloroanilino)-2-methylcyclohex-2-en-1-one;N-[3-chloro-4-[(2-methyl-3-oxocyclohexen-1-yl)amino]phenyl]naphthalene-1-carboxamide;naphthalene-1-carbonyl chloride
CID 159533150

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-(naphthalene-1-carbonylamino)phenyl]naphthalene-1-carboxamide?
The IUPAC name of N-[3-chloro-4-(naphthalene-1-carbonylamino)phenyl]naphthalene-1-carboxamide (CID 2179861) is N-[3-chloro-4-(naphthalene-1-carbonylamino)phenyl]naphthalene-1-carboxamide.
What is the SMILES notation for N-[3-chloro-4-(naphthalene-1-carbonylamino)phenyl]naphthalene-1-carboxamide?
The canonical SMILES for N-[3-chloro-4-(naphthalene-1-carbonylamino)phenyl]naphthalene-1-carboxamide is O=C(Nc1ccc(NC(=O)c2cccc3ccccc23)c(Cl)c1)c1cccc2ccccc12.
What is the InChIKey of N-[3-chloro-4-(naphthalene-1-carbonylamino)phenyl]naphthalene-1-carboxamide?
The InChIKey is WBWJBRYEXMROJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H19ClN2O2/c29-25-17-20(30-27(32)23-13-5-9-18-7-1-3-11-21(18)23)15-16-26(25)31-28(33)24-14-6-10-19-8-2-4-12-22(19)24/h1-17H,(H,30,32)(H,31,33).
What are the key properties of N-[3-chloro-4-(naphthalene-1-carbonylamino)phenyl]naphthalene-1-carboxamide?
N-[3-chloro-4-(naphthalene-1-carbonylamino)phenyl]naphthalene-1-carboxamide has a molecular weight of 450.93 g/mol, XLogP of 7.15, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-4-(naphthalene-1-carbonylamino)phenyl]naphthalene-1-carboxamide is sourced from PubChem (CID 2179861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).