N-[(4-bromophenyl)carbamoyl]naphthalene-2-carboxamide

C18H13BrN2O2 — CID 980589

IUPACN-[(4-bromophenyl)carbamoyl]naphthalene-2-carboxamide
SMILESO=C(NC(=O)c1ccc2ccccc2c1)Nc1ccc(Br)cc1
InChIInChI=1S/C18H13BrN2O2/c19-15-7-9-16(10-8-15)20-18(23)21-17(22)14-6-5-12-3-1-2-4-13(12)11-14/h1-11H,(H2,20,21,22,23)
InChIKeyGNUKMEZTNXTNRJ-UHFFFAOYSA-N
MW369.22 g/mol
LogP4.56
Rot. Bonds2

About N-[(4-bromophenyl)carbamoyl]naphthalene-2-carboxamide

N-[(4-bromophenyl)carbamoyl]naphthalene-2-carboxamide (PubChem CID 980589) has the molecular formula C18H13BrN2O2 and a molecular weight of 369.22 g/mol. Its IUPAC name is N-[(4-bromophenyl)carbamoyl]naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[(4-bromophenyl)carbamoyl]naphthalene-2-carboxamide
PubChem CID980589
Molecular FormulaC18H13BrN2O2
Molecular Weight369.22 g/mol
Exact Mass368.02
IUPAC NameN-[(4-bromophenyl)carbamoyl]naphthalene-2-carboxamide
SMILESO=C(NC(=O)c1ccc2ccccc2c1)Nc1ccc(Br)cc1
InChIInChI=1S/C18H13BrN2O2/c19-15-7-9-16(10-8-15)20-18(23)21-17(22)14-6-5-12-3-1-2-4-13(12)11-14/h1-11H,(H2,20,21,22,23)
InChIKeyGNUKMEZTNXTNRJ-UHFFFAOYSA-N
XLogP4.56
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.22
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(naphthalene-2-carbonylamino)phenyl]naphthalene-2-carboxamide
CID 5120135
N-(4-bromophenyl)-6-hydroxynaphthalene-2-carboxamide
CID 118728727
4-bromo-N-[4-[4-(naphthalene-2-carbonyl)piperazin-1-yl]phenyl]benzamide
CID 42767148
N-(4-bromophenyl)naphthalene-2-carboxamide;methane;N-(4-methylphenyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 162012639
N-[3-[2-(4-bromoanilino)-2-oxoethyl]sulfanylphenyl]naphthalene-2-carboxamide
CID 18908206
[(2R)-1-(4-bromoanilino)-1-oxopropan-2-yl] naphthalene-2-carboxylate
CID 7698066
N-(4-formylphenyl)naphthalene-2-carboxamide
CID 87842384
4-bromo-N-(1-naphthalen-2-ylethylideneamino)benzamide
CID 4299606
1-(4-bromophenyl)-3-[(3-hydroxynaphthalene-2-carbonyl)amino]urea
CID 24819542
4-bromo-N-[(4-cyclopenta-2,4-dien-1-ylphenyl)carbamoyl]benzamide
CID 122403886
N-[(5-bromo-2-pyridinyl)carbamothioyl]naphthalene-2-carboxamide
CID 1315454
1-(4-bromobenzenecarbothioyl)-3-phenylurea
CID 5007969

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromophenyl)carbamoyl]naphthalene-2-carboxamide?
The IUPAC name of N-[(4-bromophenyl)carbamoyl]naphthalene-2-carboxamide (CID 980589) is N-[(4-bromophenyl)carbamoyl]naphthalene-2-carboxamide.
What is the SMILES notation for N-[(4-bromophenyl)carbamoyl]naphthalene-2-carboxamide?
The canonical SMILES for N-[(4-bromophenyl)carbamoyl]naphthalene-2-carboxamide is O=C(NC(=O)c1ccc2ccccc2c1)Nc1ccc(Br)cc1.
What is the InChIKey of N-[(4-bromophenyl)carbamoyl]naphthalene-2-carboxamide?
The InChIKey is GNUKMEZTNXTNRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13BrN2O2/c19-15-7-9-16(10-8-15)20-18(23)21-17(22)14-6-5-12-3-1-2-4-13(12)11-14/h1-11H,(H2,20,21,22,23).
What are the key properties of N-[(4-bromophenyl)carbamoyl]naphthalene-2-carboxamide?
N-[(4-bromophenyl)carbamoyl]naphthalene-2-carboxamide has a molecular weight of 369.22 g/mol, XLogP of 4.56, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromophenyl)carbamoyl]naphthalene-2-carboxamide is sourced from PubChem (CID 980589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).