N-[1-(4-bromophenyl)propyl]-5-chloro-2-fluorobenzamide

C16H14BrClFNO — CID 60674486

IUPACN-[1-(4-bromophenyl)propyl]-5-chloro-2-fluorobenzamide
SMILESCCC(NC(=O)c1cc(Cl)ccc1F)c1ccc(Br)cc1
InChIInChI=1S/C16H14BrClFNO/c1-2-15(10-3-5-11(17)6-4-10)20-16(21)13-9-12(18)7-8-14(13)19/h3-9,15H,2H2,1H3,(H,20,21)
InChIKeyZPGOVNLMKNFDHS-UHFFFAOYSA-N
MW370.65 g/mol
LogP5.12
Rot. Bonds4

About N-[1-(4-bromophenyl)propyl]-5-chloro-2-fluorobenzamide

N-[1-(4-bromophenyl)propyl]-5-chloro-2-fluorobenzamide (PubChem CID 60674486) has the molecular formula C16H14BrClFNO and a molecular weight of 370.65 g/mol. Its IUPAC name is N-[1-(4-bromophenyl)propyl]-5-chloro-2-fluorobenzamide.

Molecular Properties

Compound NameN-[1-(4-bromophenyl)propyl]-5-chloro-2-fluorobenzamide
PubChem CID60674486
Molecular FormulaC16H14BrClFNO
Molecular Weight370.65 g/mol
Exact Mass368.99
IUPAC NameN-[1-(4-bromophenyl)propyl]-5-chloro-2-fluorobenzamide
SMILESCCC(NC(=O)c1cc(Cl)ccc1F)c1ccc(Br)cc1
InChIInChI=1S/C16H14BrClFNO/c1-2-15(10-3-5-11(17)6-4-10)20-16(21)13-9-12(18)7-8-14(13)19/h3-9,15H,2H2,1H3,(H,20,21)
InChIKeyZPGOVNLMKNFDHS-UHFFFAOYSA-N
XLogP5.12
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.65
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-bromo-N-[1-(4-bromophenyl)propyl]-4-fluorobenzamide
CID 60666299
methyl 3-[(5-bromo-2-fluorobenzoyl)amino]-3-(4-chlorophenyl)propanoate
CID 55439318
3-bromo-N-[1-(4-chlorophenyl)propyl]-2-fluorobenzamide
CID 107951914
N-[1-(3-chlorophenyl)propyl]-2-fluoro-5-methylbenzamide
CID 62511498
3,5-dibromo-N-[1-(4-bromophenyl)propyl]benzamide
CID 107980228
N-[1-(4-bromophenyl)propyl]-3-chloropyridine-4-carboxamide
CID 66484299
N-[1-(4-bromophenyl)propyl]-4-chloropyridine-3-carboxamide
CID 81226484
N-[1-(4-bromophenyl)propyl]-4-chloro-6-methylpyridine-3-carboxamide
CID 81229401
4-chloro-N-[(1R)-1-(3,4-dimethylphenyl)propyl]-2-fluorobenzamide
CID 100565359
methyl 3-(4-bromophenyl)-3-[(5-chloro-2-hydroxybenzoyl)amino]propanoate
CID 68869406
2-amino-N-[1-(4-chlorophenyl)propyl]benzamide
CID 61214980
2-amino-N-[1-(4-chlorophenyl)propyl]-3-fluorobenzamide
CID 81499811

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-bromophenyl)propyl]-5-chloro-2-fluorobenzamide?
The IUPAC name of N-[1-(4-bromophenyl)propyl]-5-chloro-2-fluorobenzamide (CID 60674486) is N-[1-(4-bromophenyl)propyl]-5-chloro-2-fluorobenzamide.
What is the SMILES notation for N-[1-(4-bromophenyl)propyl]-5-chloro-2-fluorobenzamide?
The canonical SMILES for N-[1-(4-bromophenyl)propyl]-5-chloro-2-fluorobenzamide is CCC(NC(=O)c1cc(Cl)ccc1F)c1ccc(Br)cc1.
What is the InChIKey of N-[1-(4-bromophenyl)propyl]-5-chloro-2-fluorobenzamide?
The InChIKey is ZPGOVNLMKNFDHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrClFNO/c1-2-15(10-3-5-11(17)6-4-10)20-16(21)13-9-12(18)7-8-14(13)19/h3-9,15H,2H2,1H3,(H,20,21).
What are the key properties of N-[1-(4-bromophenyl)propyl]-5-chloro-2-fluorobenzamide?
N-[1-(4-bromophenyl)propyl]-5-chloro-2-fluorobenzamide has a molecular weight of 370.65 g/mol, XLogP of 5.12, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-bromophenyl)propyl]-5-chloro-2-fluorobenzamide is sourced from PubChem (CID 60674486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).