N-(4-bromo-2-carbamoylphenyl)naphthalene-2-carboxamide

C18H13BrN2O2 — CID 176689257

IUPACN-(4-bromo-2-carbamoylphenyl)naphthalene-2-carboxamide
SMILESNC(=O)c1cc(Br)ccc1NC(=O)c1ccc2ccccc2c1
InChIInChI=1S/C18H13BrN2O2/c19-14-7-8-16(15(10-14)17(20)22)21-18(23)13-6-5-11-3-1-2-4-12(11)9-13/h1-10H,(H2,20,22)(H,21,23)
InChIKeyMOFPKJRVLVHAKA-UHFFFAOYSA-N
MW369.22 g/mol
LogP3.95
Rot. Bonds3

About N-(4-bromo-2-carbamoylphenyl)naphthalene-2-carboxamide

N-(4-bromo-2-carbamoylphenyl)naphthalene-2-carboxamide (PubChem CID 176689257) has the molecular formula C18H13BrN2O2 and a molecular weight of 369.22 g/mol. Its IUPAC name is N-(4-bromo-2-carbamoylphenyl)naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-2-carbamoylphenyl)naphthalene-2-carboxamide
PubChem CID176689257
Molecular FormulaC18H13BrN2O2
Molecular Weight369.22 g/mol
Exact Mass368.02
IUPAC NameN-(4-bromo-2-carbamoylphenyl)naphthalene-2-carboxamide
SMILESNC(=O)c1cc(Br)ccc1NC(=O)c1ccc2ccccc2c1
InChIInChI=1S/C18H13BrN2O2/c19-14-7-8-16(15(10-14)17(20)22)21-18(23)13-6-5-11-3-1-2-4-12(11)9-13/h1-10H,(H2,20,22)(H,21,23)
InChIKeyMOFPKJRVLVHAKA-UHFFFAOYSA-N
XLogP3.95
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.22
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-2-(naphthalene-2-carbonylamino)benzoate
CID 9321752
N-(2-benzoyl-4-bromophenyl)naphthalene-2-carboxamide
CID 23941186
N-(4-bromo-2-carbamothioylphenyl)benzamide
CID 82703506
N-[4-bromo-2-[2-[1-(diaminomethylideneamino)propylamino]-2-oxoacetyl]phenyl]naphthalene-2-carboxamide;hydrochloride
CID 139413728
3-bromo-N-(4-bromo-2-carbamothioylphenyl)benzamide
CID 82703358
N-(4-bromo-2-carbamoylphenyl)thiophene-2-carboxamide
CID 141087470
3-bromo-N-(4-bromo-2-carbamothioylphenyl)-4-methylbenzamide
CID 82693792
[(6-bromonaphthalene-2-carbonyl)amino]thiourea
CID 113292814
N-(2-acetamidophenyl)naphthalene-2-carboxamide
CID 787693
5-bromo-N-(2-carbamoylphenyl)-2-methylbenzamide
CID 65311671
N-[4-(naphthalene-2-carbonylamino)phenyl]naphthalene-2-carboxamide
CID 5120135
N-(2-fluorophenyl)naphthalene-2-carboxamide
CID 883701

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-carbamoylphenyl)naphthalene-2-carboxamide?
The IUPAC name of N-(4-bromo-2-carbamoylphenyl)naphthalene-2-carboxamide (CID 176689257) is N-(4-bromo-2-carbamoylphenyl)naphthalene-2-carboxamide.
What is the SMILES notation for N-(4-bromo-2-carbamoylphenyl)naphthalene-2-carboxamide?
The canonical SMILES for N-(4-bromo-2-carbamoylphenyl)naphthalene-2-carboxamide is NC(=O)c1cc(Br)ccc1NC(=O)c1ccc2ccccc2c1.
What is the InChIKey of N-(4-bromo-2-carbamoylphenyl)naphthalene-2-carboxamide?
The InChIKey is MOFPKJRVLVHAKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13BrN2O2/c19-14-7-8-16(15(10-14)17(20)22)21-18(23)13-6-5-11-3-1-2-4-12(11)9-13/h1-10H,(H2,20,22)(H,21,23).
What are the key properties of N-(4-bromo-2-carbamoylphenyl)naphthalene-2-carboxamide?
N-(4-bromo-2-carbamoylphenyl)naphthalene-2-carboxamide has a molecular weight of 369.22 g/mol, XLogP of 3.95, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-carbamoylphenyl)naphthalene-2-carboxamide is sourced from PubChem (CID 176689257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).