N-(2-amino-2-oxoethyl)-N-[(4-bromophenyl)methyl]naphthalene-2-carboxamide

C20H17BrN2O2 — CID 71892511

IUPACN-(2-amino-2-oxoethyl)-N-[(4-bromophenyl)methyl]naphthalene-2-carboxamide
SMILESNC(=O)CN(Cc1ccc(Br)cc1)C(=O)c1ccc2ccccc2c1
InChIInChI=1S/C20H17BrN2O2/c21-18-9-5-14(6-10-18)12-23(13-19(22)24)20(25)17-8-7-15-3-1-2-4-16(15)11-17/h1-11H,12-13H2,(H2,22,24)
InChIKeyQZOCKRKHIDZZJK-UHFFFAOYSA-N
MW397.27 g/mol
LogP3.73
Rot. Bonds5

About N-(2-amino-2-oxoethyl)-N-[(4-bromophenyl)methyl]naphthalene-2-carboxamide

N-(2-amino-2-oxoethyl)-N-[(4-bromophenyl)methyl]naphthalene-2-carboxamide (PubChem CID 71892511) has the molecular formula C20H17BrN2O2 and a molecular weight of 397.27 g/mol. Its IUPAC name is N-(2-amino-2-oxoethyl)-N-[(4-bromophenyl)methyl]naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethyl)-N-[(4-bromophenyl)methyl]naphthalene-2-carboxamide
PubChem CID71892511
Molecular FormulaC20H17BrN2O2
Molecular Weight397.27 g/mol
Exact Mass396.05
IUPAC NameN-(2-amino-2-oxoethyl)-N-[(4-bromophenyl)methyl]naphthalene-2-carboxamide
SMILESNC(=O)CN(Cc1ccc(Br)cc1)C(=O)c1ccc2ccccc2c1
InChIInChI=1S/C20H17BrN2O2/c21-18-9-5-14(6-10-18)12-23(13-19(22)24)20(25)17-8-7-15-3-1-2-4-16(15)11-17/h1-11H,12-13H2,(H2,22,24)
InChIKeyQZOCKRKHIDZZJK-UHFFFAOYSA-N
XLogP3.73
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.27
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(2-amino-2-oxoethyl)-N-[(4-bromophenyl)methyl]naphthalene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-amino-2-oxoethyl)-N-[(4-bromophenyl)methyl]-3-chloro-4-hydroxybenzamide
CID 75416940
N-benzyl-N-(2-bromoprop-2-enyl)naphthalene-2-carboxamide
CID 101420870
N-(2-amino-2-oxoethyl)-N-[(4-bromophenyl)methyl]cyclopropanecarboxamide
CID 60912130
N-(2-amino-2-hydroxyiminoethyl)-N-ethylnaphthalene-2-carboxamide
CID 76929403
N-(2-amino-2-oxoethyl)-N-propan-2-ylnaphthalene-2-carboxamide
CID 4801962
2-amino-N-(2-amino-2-oxoethyl)-N-[(4-bromophenyl)methyl]-2-methylpropanamide
CID 61264658
N-(2-amino-2-oxoethyl)-N-[(4-bromophenyl)methyl]-3,4,6-trimethylthieno[2,3-b]pyridine-2-carboxamide
CID 71886930
2-[(4-bromophenyl)methyl-(2-methoxyacetyl)amino]acetamide
CID 47374439
4-(dimethylamino)-N-methyl-N-(naphthalen-2-ylmethyl)benzamide
CID 27848229
methyl 2-[benzyl-(6-methoxynaphthalene-2-carbonyl)amino]acetate
CID 110169903
2-N-benzyl-2-N-hydroxynaphthalene-2,6-dicarboxamide
CID 25256224
N-(2-amino-2-oxoethyl)-N-benzyl-2-(4-bromo-2-hydroxyphenyl)acetamide
CID 167781208

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethyl)-N-[(4-bromophenyl)methyl]naphthalene-2-carboxamide?
The IUPAC name of N-(2-amino-2-oxoethyl)-N-[(4-bromophenyl)methyl]naphthalene-2-carboxamide (CID 71892511) is N-(2-amino-2-oxoethyl)-N-[(4-bromophenyl)methyl]naphthalene-2-carboxamide.
What is the SMILES notation for N-(2-amino-2-oxoethyl)-N-[(4-bromophenyl)methyl]naphthalene-2-carboxamide?
The canonical SMILES for N-(2-amino-2-oxoethyl)-N-[(4-bromophenyl)methyl]naphthalene-2-carboxamide is NC(=O)CN(Cc1ccc(Br)cc1)C(=O)c1ccc2ccccc2c1.
What is the InChIKey of N-(2-amino-2-oxoethyl)-N-[(4-bromophenyl)methyl]naphthalene-2-carboxamide?
The InChIKey is QZOCKRKHIDZZJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17BrN2O2/c21-18-9-5-14(6-10-18)12-23(13-19(22)24)20(25)17-8-7-15-3-1-2-4-16(15)11-17/h1-11H,12-13H2,(H2,22,24).
What are the key properties of N-(2-amino-2-oxoethyl)-N-[(4-bromophenyl)methyl]naphthalene-2-carboxamide?
N-(2-amino-2-oxoethyl)-N-[(4-bromophenyl)methyl]naphthalene-2-carboxamide has a molecular weight of 397.27 g/mol, XLogP of 3.73, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxoethyl)-N-[(4-bromophenyl)methyl]naphthalene-2-carboxamide is sourced from PubChem (CID 71892511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).