4-amino-N-[(4-bromo-2-fluorophenyl)-phenylmethyl]pentanamide

C18H20BrFN2O — CID 120560847

IUPAC4-amino-N-[(4-bromo-2-fluorophenyl)-phenylmethyl]pentanamide
SMILESCC(N)CCC(=O)NC(c1ccccc1)c1ccc(Br)cc1F
InChIInChI=1S/C18H20BrFN2O/c1-12(21)7-10-17(23)22-18(13-5-3-2-4-6-13)15-9-8-14(19)11-16(15)20/h2-6,8-9,11-12,18H,7,10,21H2,1H3,(H,22,23)
InChIKeyZYCRGZSLNZSHBF-UHFFFAOYSA-N
MW379.27 g/mol
LogP3.92
Rot. Bonds6

About 4-amino-N-[(4-bromo-2-fluorophenyl)-phenylmethyl]pentanamide

4-amino-N-[(4-bromo-2-fluorophenyl)-phenylmethyl]pentanamide (PubChem CID 120560847) has the molecular formula C18H20BrFN2O and a molecular weight of 379.27 g/mol. Its IUPAC name is 4-amino-N-[(4-bromo-2-fluorophenyl)-phenylmethyl]pentanamide.

Molecular Properties

Compound Name4-amino-N-[(4-bromo-2-fluorophenyl)-phenylmethyl]pentanamide
PubChem CID120560847
Molecular FormulaC18H20BrFN2O
Molecular Weight379.27 g/mol
Exact Mass378.07
IUPAC Name4-amino-N-[(4-bromo-2-fluorophenyl)-phenylmethyl]pentanamide
SMILESCC(N)CCC(=O)NC(c1ccccc1)c1ccc(Br)cc1F
InChIInChI=1S/C18H20BrFN2O/c1-12(21)7-10-17(23)22-18(13-5-3-2-4-6-13)15-9-8-14(19)11-16(15)20/h2-6,8-9,11-12,18H,7,10,21H2,1H3,(H,22,23)
InChIKeyZYCRGZSLNZSHBF-UHFFFAOYSA-N
XLogP3.92
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.27
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-amino-N-[(4-bromo-2-fluorophenyl)-phenylmethyl]pentanamide 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-[(4-bromo-2-fluorophenyl)-phenylmethyl]-3-(phenylcarbamoylamino)propanamide
CID 55990369
N-[3-[[(4-bromo-2-fluorophenyl)-phenylmethyl]amino]-3-oxopropyl]-2-methylbenzamide
CID 60523190
N-[(4-bromo-2-fluorophenyl)-phenylmethyl]-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119738549
4-amino-N-[(3-chlorophenyl)-phenylmethyl]pentanamide
CID 120560763
N-[4-[[(S)-(4-bromo-2-fluorophenyl)-phenylmethyl]amino]-4-oxobutyl]furan-2-carboxamide
CID 51965230
N-[(S)-(4-bromo-2-fluorophenyl)-phenylmethyl]-2-(tetrazol-1-yl)acetamide
CID 52724876
2-(3-acetylphenoxy)-N-[(4-bromo-2-fluorophenyl)-phenylmethyl]acetamide
CID 55990114
N-[(4-bromo-2-fluorophenyl)-phenylmethyl]-2-(2-nitrophenoxy)acetamide
CID 55857646
N-[(4-bromo-2-fluorophenyl)-phenylmethyl]furan-2-carboxamide
CID 55857773
N-[(4-bromo-2-fluorophenyl)-phenylmethyl]-2-(2-methyl-4-oxoquinazolin-3-yl)acetamide
CID 55990247
N-[(R)-(4-bromo-2-fluorophenyl)-phenylmethyl]-6-methylpyridine-3-carboxamide
CID 52688316
4-amino-N-[1-benzofuran-2-yl(phenyl)methyl]pentanamide
CID 120559534

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(4-bromo-2-fluorophenyl)-phenylmethyl]pentanamide?
The IUPAC name of 4-amino-N-[(4-bromo-2-fluorophenyl)-phenylmethyl]pentanamide (CID 120560847) is 4-amino-N-[(4-bromo-2-fluorophenyl)-phenylmethyl]pentanamide.
What is the SMILES notation for 4-amino-N-[(4-bromo-2-fluorophenyl)-phenylmethyl]pentanamide?
The canonical SMILES for 4-amino-N-[(4-bromo-2-fluorophenyl)-phenylmethyl]pentanamide is CC(N)CCC(=O)NC(c1ccccc1)c1ccc(Br)cc1F.
What is the InChIKey of 4-amino-N-[(4-bromo-2-fluorophenyl)-phenylmethyl]pentanamide?
The InChIKey is ZYCRGZSLNZSHBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrFN2O/c1-12(21)7-10-17(23)22-18(13-5-3-2-4-6-13)15-9-8-14(19)11-16(15)20/h2-6,8-9,11-12,18H,7,10,21H2,1H3,(H,22,23).
What are the key properties of 4-amino-N-[(4-bromo-2-fluorophenyl)-phenylmethyl]pentanamide?
4-amino-N-[(4-bromo-2-fluorophenyl)-phenylmethyl]pentanamide has a molecular weight of 379.27 g/mol, XLogP of 3.92, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(4-bromo-2-fluorophenyl)-phenylmethyl]pentanamide is sourced from PubChem (CID 120560847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).