2-(4-bromophenyl)-N-[(1S)-1-(3-chlorophenyl)ethyl]acetamide

C16H15BrClNO — CID 9164817

IUPAC2-(4-bromophenyl)-N-[(1S)-1-(3-chlorophenyl)ethyl]acetamide
SMILESC[C@H](NC(=O)Cc1ccc(Br)cc1)c1cccc(Cl)c1
InChIInChI=1S/C16H15BrClNO/c1-11(13-3-2-4-15(18)10-13)19-16(20)9-12-5-7-14(17)8-6-12/h2-8,10-11H,9H2,1H3,(H,19,20)/t11-/m0/s1
InChIKeyKMQHQPGCWVBSDS-NSHDSACASA-N
MW352.66 g/mol
LogP4.52
Rot. Bonds4

About 2-(4-bromophenyl)-N-[(1S)-1-(3-chlorophenyl)ethyl]acetamide

2-(4-bromophenyl)-N-[(1S)-1-(3-chlorophenyl)ethyl]acetamide (PubChem CID 9164817) has the molecular formula C16H15BrClNO and a molecular weight of 352.66 g/mol. Its IUPAC name is 2-(4-bromophenyl)-N-[(1S)-1-(3-chlorophenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(4-bromophenyl)-N-[(1S)-1-(3-chlorophenyl)ethyl]acetamide
PubChem CID9164817
Molecular FormulaC16H15BrClNO
Molecular Weight352.66 g/mol
Exact Mass351.00
IUPAC Name2-(4-bromophenyl)-N-[(1S)-1-(3-chlorophenyl)ethyl]acetamide
SMILESC[C@H](NC(=O)Cc1ccc(Br)cc1)c1cccc(Cl)c1
InChIInChI=1S/C16H15BrClNO/c1-11(13-3-2-4-15(18)10-13)19-16(20)9-12-5-7-14(17)8-6-12/h2-8,10-11H,9H2,1H3,(H,19,20)/t11-/m0/s1
InChIKeyKMQHQPGCWVBSDS-NSHDSACASA-N
XLogP4.52
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.66
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(1R)-1-(4-bromophenyl)ethyl]-2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]acetamide
CID 9307629
N-[(1R)-1-(3-chlorophenyl)ethyl]-2-(4-ethoxyphenyl)acetamide
CID 92538097
2-(4-bromophenyl)-N-[(1S)-1-(4-chlorophenyl)ethyl]acetamide
CID 8751622
N-[1-(3-chlorophenyl)ethyl]-2-[4-(trifluoromethoxy)phenyl]acetamide
CID 46490982
5-bromo-N-[4-[2-[1-(3-chlorophenyl)ethylamino]-2-oxoethyl]phenyl]furan-2-carboxamide
CID 46488303
N-[1-(3-chlorophenyl)ethyl]-2-(3-fluorophenyl)acetamide
CID 42905870
2-chloro-N-[1-(3-chlorophenyl)ethyl]acetamide
CID 3764710
N-[(1S)-1-(3-bromophenyl)ethyl]-2-phenylacetamide
CID 28558064
[2-[[(1S)-1-(4-bromophenyl)ethyl]amino]-2-oxoethyl]-[(1R)-1-(3-chlorophenyl)ethyl]azanium
CID 9307630
[2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-2-oxoethyl] 2-(4-chlorophenyl)acetate
CID 8579291
N-[1-(3-aminophenyl)ethyl]-2-(3-chlorophenyl)acetamide
CID 62504759
N-[(1S)-1-(3-chlorophenyl)ethyl]-2-(2-fluorophenyl)acetamide
CID 8700805

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-N-[(1S)-1-(3-chlorophenyl)ethyl]acetamide?
The IUPAC name of 2-(4-bromophenyl)-N-[(1S)-1-(3-chlorophenyl)ethyl]acetamide (CID 9164817) is 2-(4-bromophenyl)-N-[(1S)-1-(3-chlorophenyl)ethyl]acetamide.
What is the SMILES notation for 2-(4-bromophenyl)-N-[(1S)-1-(3-chlorophenyl)ethyl]acetamide?
The canonical SMILES for 2-(4-bromophenyl)-N-[(1S)-1-(3-chlorophenyl)ethyl]acetamide is C[C@H](NC(=O)Cc1ccc(Br)cc1)c1cccc(Cl)c1.
What is the InChIKey of 2-(4-bromophenyl)-N-[(1S)-1-(3-chlorophenyl)ethyl]acetamide?
The InChIKey is KMQHQPGCWVBSDS-NSHDSACASA-N. The full InChI is InChI=1S/C16H15BrClNO/c1-11(13-3-2-4-15(18)10-13)19-16(20)9-12-5-7-14(17)8-6-12/h2-8,10-11H,9H2,1H3,(H,19,20)/t11-/m0/s1.
What are the key properties of 2-(4-bromophenyl)-N-[(1S)-1-(3-chlorophenyl)ethyl]acetamide?
2-(4-bromophenyl)-N-[(1S)-1-(3-chlorophenyl)ethyl]acetamide has a molecular weight of 352.66 g/mol, XLogP of 4.52, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-N-[(1S)-1-(3-chlorophenyl)ethyl]acetamide is sourced from PubChem (CID 9164817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).