N-[(4-bromophenyl)-phenylmethyl]-4-fluorobenzamide

C20H15BrFNO — CID 2953170

IUPACN-[(4-bromophenyl)-phenylmethyl]-4-fluorobenzamide
SMILESO=C(NC(c1ccccc1)c1ccc(Br)cc1)c1ccc(F)cc1
InChIInChI=1S/C20H15BrFNO/c21-17-10-6-15(7-11-17)19(14-4-2-1-3-5-14)23-20(24)16-8-12-18(22)13-9-16/h1-13,19H,(H,23,24)
InChIKeyGCNCEGAAUPGRFZ-UHFFFAOYSA-N
MW384.25 g/mol
LogP5.11
Rot. Bonds4

About N-[(4-bromophenyl)-phenylmethyl]-4-fluorobenzamide

N-[(4-bromophenyl)-phenylmethyl]-4-fluorobenzamide (PubChem CID 2953170) has the molecular formula C20H15BrFNO and a molecular weight of 384.25 g/mol. Its IUPAC name is N-[(4-bromophenyl)-phenylmethyl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[(4-bromophenyl)-phenylmethyl]-4-fluorobenzamide
PubChem CID2953170
Molecular FormulaC20H15BrFNO
Molecular Weight384.25 g/mol
Exact Mass383.03
IUPAC NameN-[(4-bromophenyl)-phenylmethyl]-4-fluorobenzamide
SMILESO=C(NC(c1ccccc1)c1ccc(Br)cc1)c1ccc(F)cc1
InChIInChI=1S/C20H15BrFNO/c21-17-10-6-15(7-11-17)19(14-4-2-1-3-5-14)23-20(24)16-8-12-18(22)13-9-16/h1-13,19H,(H,23,24)
InChIKeyGCNCEGAAUPGRFZ-UHFFFAOYSA-N
XLogP5.11
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.25
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-[(4-bromophenyl)-phenylmethyl]-4-fluorobenzamide 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-[(R)-(4-bromophenyl)-phenylmethyl]-4-fluorobenzamide
CID 2203223
N-[(S)-(4-bromophenyl)-phenylmethyl]-3-fluorobenzamide
CID 1315645
N-[(S)-(4-fluorophenyl)-phenylmethyl]-1-methyl-2-oxopyridine-4-carboxamide
CID 94044299
N-[(4-fluorophenyl)-phenylmethyl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 55582803
N-[(1S)-2-(4-bromophenyl)-2-oxo-1-phenylethyl]benzamide
CID 6991228
2-[(4-bromobenzoyl)amino]-2-phenylacetic acid
CID 16776362
2-[[(S)-(4-fluorophenyl)-phenylmethyl]amino]-2-oxoacetic acid
CID 99784106
N-[(4-hydroxyphenyl)-phenylmethyl]benzamide
CID 135070955
N-[(4-fluorophenyl)-thiophen-2-ylmethyl]benzamide
CID 46565128
N-benzhydryl-2-bromo-4-fluorobenzamide
CID 9192491
N-[(4-fluorophenyl)-phenylmethyl]-2-iodobenzamide
CID 55594145
N'-(4-bromobenzoyl)-4-fluorobenzohydrazide
CID 2709679

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromophenyl)-phenylmethyl]-4-fluorobenzamide?
The IUPAC name of N-[(4-bromophenyl)-phenylmethyl]-4-fluorobenzamide (CID 2953170) is N-[(4-bromophenyl)-phenylmethyl]-4-fluorobenzamide.
What is the SMILES notation for N-[(4-bromophenyl)-phenylmethyl]-4-fluorobenzamide?
The canonical SMILES for N-[(4-bromophenyl)-phenylmethyl]-4-fluorobenzamide is O=C(NC(c1ccccc1)c1ccc(Br)cc1)c1ccc(F)cc1.
What is the InChIKey of N-[(4-bromophenyl)-phenylmethyl]-4-fluorobenzamide?
The InChIKey is GCNCEGAAUPGRFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15BrFNO/c21-17-10-6-15(7-11-17)19(14-4-2-1-3-5-14)23-20(24)16-8-12-18(22)13-9-16/h1-13,19H,(H,23,24).
What are the key properties of N-[(4-bromophenyl)-phenylmethyl]-4-fluorobenzamide?
N-[(4-bromophenyl)-phenylmethyl]-4-fluorobenzamide has a molecular weight of 384.25 g/mol, XLogP of 5.11, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromophenyl)-phenylmethyl]-4-fluorobenzamide is sourced from PubChem (CID 2953170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).