N-[3-(3-bromopropyl)phenyl]-4-chloro-3-fluorobenzamide

C16H14BrClFNO — CID 107994161

IUPACN-[3-(3-bromopropyl)phenyl]-4-chloro-3-fluorobenzamide
SMILESO=C(Nc1cccc(CCCBr)c1)c1ccc(Cl)c(F)c1
InChIInChI=1S/C16H14BrClFNO/c17-8-2-4-11-3-1-5-13(9-11)20-16(21)12-6-7-14(18)15(19)10-12/h1,3,5-7,9-10H,2,4,8H2,(H,20,21)
InChIKeyHXNAPTCHCYFXAV-UHFFFAOYSA-N
MW370.65 g/mol
LogP5.06
Rot. Bonds5

About N-[3-(3-bromopropyl)phenyl]-4-chloro-3-fluorobenzamide

N-[3-(3-bromopropyl)phenyl]-4-chloro-3-fluorobenzamide (PubChem CID 107994161) has the molecular formula C16H14BrClFNO and a molecular weight of 370.65 g/mol. Its IUPAC name is N-[3-(3-bromopropyl)phenyl]-4-chloro-3-fluorobenzamide.

Molecular Properties

Compound NameN-[3-(3-bromopropyl)phenyl]-4-chloro-3-fluorobenzamide
PubChem CID107994161
Molecular FormulaC16H14BrClFNO
Molecular Weight370.65 g/mol
Exact Mass368.99
IUPAC NameN-[3-(3-bromopropyl)phenyl]-4-chloro-3-fluorobenzamide
SMILESO=C(Nc1cccc(CCCBr)c1)c1ccc(Cl)c(F)c1
InChIInChI=1S/C16H14BrClFNO/c17-8-2-4-11-3-1-5-13(9-11)20-16(21)12-6-7-14(18)15(19)10-12/h1,3,5-7,9-10H,2,4,8H2,(H,20,21)
InChIKeyHXNAPTCHCYFXAV-UHFFFAOYSA-N
XLogP5.06
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.65
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

4-chloro-N-[3-(chloromethyl)phenyl]-3-fluorobenzamide
CID 114025222
N-[3-(chloromethyl)phenyl]-3,4-difluorobenzamide
CID 114293187
N-[3-(3-bromopropyl)phenyl]furan-3-carboxamide
CID 113397917
N-[3-(3-bromopropyl)phenyl]-2-methylpyridine-4-carboxamide
CID 106754268
3,4-dichloro-N-[3-(chloromethyl)phenyl]benzamide
CID 114293273
N-[3-(bromomethyl)phenyl]-3-chloro-4-hydroxybenzamide
CID 114307203
N-[3-(3-bromopropyl)phenyl]-4-fluoro-2-hydroxybenzamide
CID 107016950
N-[3-(3-bromopropyl)phenyl]-2,3-dihydroxybenzamide
CID 114345344
3-bromo-N-(4-chloro-3-fluorophenyl)benzamide
CID 60776244
N-[3-(bromomethyl)phenyl]-3-chloro-4-iodobenzamide
CID 103212445
N-[3-(aminomethyl)phenyl]-4-bromo-3-fluorobenzamide
CID 63254166
N-(4-amino-3-bromophenyl)-4-chloro-3-fluorobenzamide
CID 107997647

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-bromopropyl)phenyl]-4-chloro-3-fluorobenzamide?
The IUPAC name of N-[3-(3-bromopropyl)phenyl]-4-chloro-3-fluorobenzamide (CID 107994161) is N-[3-(3-bromopropyl)phenyl]-4-chloro-3-fluorobenzamide.
What is the SMILES notation for N-[3-(3-bromopropyl)phenyl]-4-chloro-3-fluorobenzamide?
The canonical SMILES for N-[3-(3-bromopropyl)phenyl]-4-chloro-3-fluorobenzamide is O=C(Nc1cccc(CCCBr)c1)c1ccc(Cl)c(F)c1.
What is the InChIKey of N-[3-(3-bromopropyl)phenyl]-4-chloro-3-fluorobenzamide?
The InChIKey is HXNAPTCHCYFXAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrClFNO/c17-8-2-4-11-3-1-5-13(9-11)20-16(21)12-6-7-14(18)15(19)10-12/h1,3,5-7,9-10H,2,4,8H2,(H,20,21).
What are the key properties of N-[3-(3-bromopropyl)phenyl]-4-chloro-3-fluorobenzamide?
N-[3-(3-bromopropyl)phenyl]-4-chloro-3-fluorobenzamide has a molecular weight of 370.65 g/mol, XLogP of 5.06, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-bromopropyl)phenyl]-4-chloro-3-fluorobenzamide is sourced from PubChem (CID 107994161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).