3-chloro-N-[(2R)-4-phenylbutan-2-yl]benzamide

C17H18ClNO — CID 808043

IUPAC3-chloro-N-[(2R)-4-phenylbutan-2-yl]benzamide
SMILESC[C@H](CCc1ccccc1)NC(=O)c1cccc(Cl)c1
InChIInChI=1S/C17H18ClNO/c1-13(10-11-14-6-3-2-4-7-14)19-17(20)15-8-5-9-16(18)12-15/h2-9,12-13H,10-11H2,1H3,(H,19,20)/t13-/m1/s1
InChIKeyLZPGRYZKBYCKED-CYBMUJFWSA-N
MW287.79 g/mol
LogP4.09
Rot. Bonds5

About 3-chloro-N-[(2R)-4-phenylbutan-2-yl]benzamide

3-chloro-N-[(2R)-4-phenylbutan-2-yl]benzamide (PubChem CID 808043) has the molecular formula C17H18ClNO and a molecular weight of 287.79 g/mol. Its IUPAC name is 3-chloro-N-[(2R)-4-phenylbutan-2-yl]benzamide.

Molecular Properties

Compound Name3-chloro-N-[(2R)-4-phenylbutan-2-yl]benzamide
PubChem CID808043
Molecular FormulaC17H18ClNO
Molecular Weight287.79 g/mol
Exact Mass287.11
IUPAC Name3-chloro-N-[(2R)-4-phenylbutan-2-yl]benzamide
SMILESC[C@H](CCc1ccccc1)NC(=O)c1cccc(Cl)c1
InChIInChI=1S/C17H18ClNO/c1-13(10-11-14-6-3-2-4-7-14)19-17(20)15-8-5-9-16(18)12-15/h2-9,12-13H,10-11H2,1H3,(H,19,20)/t13-/m1/s1
InChIKeyLZPGRYZKBYCKED-CYBMUJFWSA-N
XLogP4.09
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.79
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-bromo-N-(4-phenylbutan-2-yl)benzamide
CID 2900387
3-bromo-N-[(2S)-4-phenylbutan-2-yl]benzamide
CID 880257
N-(4-bromobutan-2-yl)-3-chlorobenzamide
CID 83179175
3-chloro-N-(5-chloropentan-2-yl)benzamide
CID 114305976
N-[(2S)-4-phenylbutan-2-yl]-3-(trifluoromethyl)benzamide
CID 2521792
3,4-dimethyl-N-[(2S)-4-phenylbutan-2-yl]benzamide
CID 903724
4-chloro-3-nitro-N-(4-phenylbutan-2-yl)benzamide
CID 3377571
3-(methanesulfonamido)-N-(4-phenylbutan-2-yl)benzamide
CID 18107551
3-(methanesulfonamido)-N-[(2R)-4-phenylbutan-2-yl]benzamide
CID 41453393
5-(3-chlorophenyl)-N-[(2S)-4-phenylbutan-2-yl]thiophene-2-carboxamide
CID 92762194
3-chloro-N-[(2S)-4-methylsulfonylbutan-2-yl]benzamide
CID 70987923
(2R)-2-(3-chlorophenoxy)-N-[(2S)-4-phenylbutan-2-yl]propanamide
CID 2169959

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(2R)-4-phenylbutan-2-yl]benzamide?
The IUPAC name of 3-chloro-N-[(2R)-4-phenylbutan-2-yl]benzamide (CID 808043) is 3-chloro-N-[(2R)-4-phenylbutan-2-yl]benzamide.
What is the SMILES notation for 3-chloro-N-[(2R)-4-phenylbutan-2-yl]benzamide?
The canonical SMILES for 3-chloro-N-[(2R)-4-phenylbutan-2-yl]benzamide is C[C@H](CCc1ccccc1)NC(=O)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-[(2R)-4-phenylbutan-2-yl]benzamide?
The InChIKey is LZPGRYZKBYCKED-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H18ClNO/c1-13(10-11-14-6-3-2-4-7-14)19-17(20)15-8-5-9-16(18)12-15/h2-9,12-13H,10-11H2,1H3,(H,19,20)/t13-/m1/s1.
What are the key properties of 3-chloro-N-[(2R)-4-phenylbutan-2-yl]benzamide?
3-chloro-N-[(2R)-4-phenylbutan-2-yl]benzamide has a molecular weight of 287.79 g/mol, XLogP of 4.09, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(2R)-4-phenylbutan-2-yl]benzamide is sourced from PubChem (CID 808043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).