N-benzyl-N-(2-bromoprop-2-enyl)naphthalene-2-carboxamide

C21H18BrNO — CID 101420870

IUPACN-benzyl-N-(2-bromoprop-2-enyl)naphthalene-2-carboxamide
SMILESC=C(Br)CN(Cc1ccccc1)C(=O)c1ccc2ccccc2c1
InChIInChI=1S/C21H18BrNO/c1-16(22)14-23(15-17-7-3-2-4-8-17)21(24)20-12-11-18-9-5-6-10-19(18)13-20/h2-13H,1,14-15H2
InChIKeyJOBPNNAKUQUKBE-UHFFFAOYSA-N
MW380.29 g/mol
LogP5.39
Rot. Bonds5

About N-benzyl-N-(2-bromoprop-2-enyl)naphthalene-2-carboxamide

N-benzyl-N-(2-bromoprop-2-enyl)naphthalene-2-carboxamide (PubChem CID 101420870) has the molecular formula C21H18BrNO and a molecular weight of 380.29 g/mol. Its IUPAC name is N-benzyl-N-(2-bromoprop-2-enyl)naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-(2-bromoprop-2-enyl)naphthalene-2-carboxamide
PubChem CID101420870
Molecular FormulaC21H18BrNO
Molecular Weight380.29 g/mol
Exact Mass379.06
IUPAC NameN-benzyl-N-(2-bromoprop-2-enyl)naphthalene-2-carboxamide
SMILESC=C(Br)CN(Cc1ccccc1)C(=O)c1ccc2ccccc2c1
InChIInChI=1S/C21H18BrNO/c1-16(22)14-23(15-17-7-3-2-4-8-17)21(24)20-12-11-18-9-5-6-10-19(18)13-20/h2-13H,1,14-15H2
InChIKeyJOBPNNAKUQUKBE-UHFFFAOYSA-N
XLogP5.39
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.29
LogP ≤ 55.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-(2-amino-2-oxoethyl)-N-[(4-bromophenyl)methyl]naphthalene-2-carboxamide
CID 71892511
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CID 110169903
N,N-dibenzyl-2-naphthalen-2-ylacetamide
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N-benzyl-N-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl]naphthalene-2-carboxamide
CID 3541822
2-[benzyl-(3-fluorobenzoyl)amino]acetic acid
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4-(dibenzylcarbamoyl)benzoic acid
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N-[2-[benzyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-N-propan-2-ylnaphthalene-2-carboxamide
CID 3686088
N-[2-[benzyl-[(5-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-N-propan-2-ylnaphthalene-2-carboxamide
CID 1059752
N-(2-bromoprop-2-enyl)-N-but-2-ynylbenzamide
CID 11098300
2-N-benzyl-2-N-hydroxynaphthalene-2,6-dicarboxamide
CID 25256224
tert-butyl N-benzyl-N-(naphthalene-2-carbonyl)carbamate
CID 101149303
N-benzyl-N-[1-[ethyl-(2,2,2-trifluoroacetyl)amino]propan-2-yl]naphthalene-2-carboxamide
CID 142975149

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(2-bromoprop-2-enyl)naphthalene-2-carboxamide?
The IUPAC name of N-benzyl-N-(2-bromoprop-2-enyl)naphthalene-2-carboxamide (CID 101420870) is N-benzyl-N-(2-bromoprop-2-enyl)naphthalene-2-carboxamide.
What is the SMILES notation for N-benzyl-N-(2-bromoprop-2-enyl)naphthalene-2-carboxamide?
The canonical SMILES for N-benzyl-N-(2-bromoprop-2-enyl)naphthalene-2-carboxamide is C=C(Br)CN(Cc1ccccc1)C(=O)c1ccc2ccccc2c1.
What is the InChIKey of N-benzyl-N-(2-bromoprop-2-enyl)naphthalene-2-carboxamide?
The InChIKey is JOBPNNAKUQUKBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18BrNO/c1-16(22)14-23(15-17-7-3-2-4-8-17)21(24)20-12-11-18-9-5-6-10-19(18)13-20/h2-13H,1,14-15H2.
What are the key properties of N-benzyl-N-(2-bromoprop-2-enyl)naphthalene-2-carboxamide?
N-benzyl-N-(2-bromoprop-2-enyl)naphthalene-2-carboxamide has a molecular weight of 380.29 g/mol, XLogP of 5.39, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(2-bromoprop-2-enyl)naphthalene-2-carboxamide is sourced from PubChem (CID 101420870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).