N-[(S)-(4-bromophenyl)-phenylmethyl]-3-fluorobenzamide

C20H15BrFNO — CID 1315645

IUPACN-[(S)-(4-bromophenyl)-phenylmethyl]-3-fluorobenzamide
SMILESO=C(N[C@@H](c1ccccc1)c1ccc(Br)cc1)c1cccc(F)c1
InChIInChI=1S/C20H15BrFNO/c21-17-11-9-15(10-12-17)19(14-5-2-1-3-6-14)23-20(24)16-7-4-8-18(22)13-16/h1-13,19H,(H,23,24)/t19-/m0/s1
InChIKeyWDMFLPNLZAEQIA-IBGZPJMESA-N
MW384.25 g/mol
LogP5.11
Rot. Bonds4

About N-[(S)-(4-bromophenyl)-phenylmethyl]-3-fluorobenzamide

N-[(S)-(4-bromophenyl)-phenylmethyl]-3-fluorobenzamide (PubChem CID 1315645) has the molecular formula C20H15BrFNO and a molecular weight of 384.25 g/mol. Its IUPAC name is N-[(S)-(4-bromophenyl)-phenylmethyl]-3-fluorobenzamide.

Molecular Properties

Compound NameN-[(S)-(4-bromophenyl)-phenylmethyl]-3-fluorobenzamide
PubChem CID1315645
Molecular FormulaC20H15BrFNO
Molecular Weight384.25 g/mol
Exact Mass383.03
IUPAC NameN-[(S)-(4-bromophenyl)-phenylmethyl]-3-fluorobenzamide
SMILESO=C(N[C@@H](c1ccccc1)c1ccc(Br)cc1)c1cccc(F)c1
InChIInChI=1S/C20H15BrFNO/c21-17-11-9-15(10-12-17)19(14-5-2-1-3-6-14)23-20(24)16-7-4-8-18(22)13-16/h1-13,19H,(H,23,24)/t19-/m0/s1
InChIKeyWDMFLPNLZAEQIA-IBGZPJMESA-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

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Related Compounds

N-[(S)-(4-chlorophenyl)-phenylmethyl]-3-fluorobenzamide
CID 973229
N-[(R)-(4-bromophenyl)-phenylmethyl]-4-fluorobenzamide
CID 2203223
N-[(4-bromophenyl)-phenylmethyl]-4-fluorobenzamide
CID 2953170
N-[(4-bromophenyl)-phenylmethyl]-3-methoxybenzamide
CID 2952126
3-fluoro-N-[(S)-furan-2-yl(phenyl)methyl]benzamide
CID 8928171
N-[(R)-(4-bromophenyl)-(3-fluorophenyl)methyl]acetamide
CID 97041571
N-[(S)-(4-bromophenyl)-(3-fluorophenyl)methyl]acetamide
CID 97041570
N-[(S)-(4-fluorophenyl)-phenylmethyl]-1-methyl-2-oxopyridine-4-carboxamide
CID 94044299
N-[1,2-dihydroacenaphthylen-5-yl(phenyl)methyl]-3-fluorobenzamide
CID 5127035
N-[(3-aminophenyl)-(4-methoxyphenyl)methyl]-3-fluorobenzamide
CID 18334245
N-benzhydryl-2-bromo-4-fluorobenzamide
CID 9192491
N-benzhydryl-3-(trifluoromethyl)benzamide
CID 3549490

Frequently Asked Questions

What is the IUPAC name of N-[(S)-(4-bromophenyl)-phenylmethyl]-3-fluorobenzamide?
The IUPAC name of N-[(S)-(4-bromophenyl)-phenylmethyl]-3-fluorobenzamide (CID 1315645) is N-[(S)-(4-bromophenyl)-phenylmethyl]-3-fluorobenzamide.
What is the SMILES notation for N-[(S)-(4-bromophenyl)-phenylmethyl]-3-fluorobenzamide?
The canonical SMILES for N-[(S)-(4-bromophenyl)-phenylmethyl]-3-fluorobenzamide is O=C(N[C@@H](c1ccccc1)c1ccc(Br)cc1)c1cccc(F)c1.
What is the InChIKey of N-[(S)-(4-bromophenyl)-phenylmethyl]-3-fluorobenzamide?
The InChIKey is WDMFLPNLZAEQIA-IBGZPJMESA-N. The full InChI is InChI=1S/C20H15BrFNO/c21-17-11-9-15(10-12-17)19(14-5-2-1-3-6-14)23-20(24)16-7-4-8-18(22)13-16/h1-13,19H,(H,23,24)/t19-/m0/s1.
What are the key properties of N-[(S)-(4-bromophenyl)-phenylmethyl]-3-fluorobenzamide?
N-[(S)-(4-bromophenyl)-phenylmethyl]-3-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-[(S)-(4-bromophenyl)-phenylmethyl]-3-fluorobenzamide is sourced from PubChem (CID 1315645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).