N-[2-(3-bromophenyl)ethyl]-4-chlorobenzamide

C15H13BrClNO — CID 57420568

IUPACN-[2-(3-bromophenyl)ethyl]-4-chlorobenzamide
SMILESO=C(NCCc1cccc(Br)c1)c1ccc(Cl)cc1
InChIInChI=1S/C15H13BrClNO/c16-13-3-1-2-11(10-13)8-9-18-15(19)12-4-6-14(17)7-5-12/h1-7,10H,8-9H2,(H,18,19)
InChIKeyQVBZJLBUZAOPQL-UHFFFAOYSA-N
MW338.63 g/mol
LogP4.07
Rot. Bonds4

About N-[2-(3-bromophenyl)ethyl]-4-chlorobenzamide

N-[2-(3-bromophenyl)ethyl]-4-chlorobenzamide (PubChem CID 57420568) has the molecular formula C15H13BrClNO and a molecular weight of 338.63 g/mol. Its IUPAC name is N-[2-(3-bromophenyl)ethyl]-4-chlorobenzamide.

Molecular Properties

Compound NameN-[2-(3-bromophenyl)ethyl]-4-chlorobenzamide
PubChem CID57420568
Molecular FormulaC15H13BrClNO
Molecular Weight338.63 g/mol
Exact Mass336.99
IUPAC NameN-[2-(3-bromophenyl)ethyl]-4-chlorobenzamide
SMILESO=C(NCCc1cccc(Br)c1)c1ccc(Cl)cc1
InChIInChI=1S/C15H13BrClNO/c16-13-3-1-2-11(10-13)8-9-18-15(19)12-4-6-14(17)7-5-12/h1-7,10H,8-9H2,(H,18,19)
InChIKeyQVBZJLBUZAOPQL-UHFFFAOYSA-N
XLogP4.07
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.63
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-Chloro-N-phenethyl-benzamide
CID 692233
4-Chloro-N-phenethylbenzamide
CID 306479
N-benzyl-4-chlorobenzamide
CID 346668
N-[(4-chlorophenyl)methyl]-4-ethylbenzamide
CID 2097068
4-chloro-N-(2-oxo-2-phenylethyl)benzamide
CID 832101
3-bromo-N-propylbenzamide
CID 3118655
N-Benzyl-2-chloro-benzamide
CID 347073
Benzamide derivative 11
CID 41306362
3-bromo-N-(4-phenylbutyl)benzamide
CID 2057509
N-benzyl-4-(4-chlorophenyl)-4-oxobutanamide
CID 2379578
Ro 16-6491
CID 4289
n-Benzyl-4-bromobenzamide
CID 781117

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-bromophenyl)ethyl]-4-chlorobenzamide?
The IUPAC name of N-[2-(3-bromophenyl)ethyl]-4-chlorobenzamide (CID 57420568) is N-[2-(3-bromophenyl)ethyl]-4-chlorobenzamide.
What is the SMILES notation for N-[2-(3-bromophenyl)ethyl]-4-chlorobenzamide?
The canonical SMILES for N-[2-(3-bromophenyl)ethyl]-4-chlorobenzamide is O=C(NCCc1cccc(Br)c1)c1ccc(Cl)cc1.
What is the InChIKey of N-[2-(3-bromophenyl)ethyl]-4-chlorobenzamide?
The InChIKey is QVBZJLBUZAOPQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrClNO/c16-13-3-1-2-11(10-13)8-9-18-15(19)12-4-6-14(17)7-5-12/h1-7,10H,8-9H2,(H,18,19).
What are the key properties of N-[2-(3-bromophenyl)ethyl]-4-chlorobenzamide?
N-[2-(3-bromophenyl)ethyl]-4-chlorobenzamide has a molecular weight of 338.63 g/mol, XLogP of 4.07, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-bromophenyl)ethyl]-4-chlorobenzamide is sourced from PubChem (CID 57420568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).