(3R)-3-chloro-N-phenylbutanamide

C10H12ClNO — CID 94188827

IUPAC(3R)-3-chloro-N-phenylbutanamide
SMILESC[C@@H](Cl)CC(=O)Nc1ccccc1
InChIInChI=1S/C10H12ClNO/c1-8(11)7-10(13)12-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H,12,13)/t8-/m1/s1
InChIKeyVVAFDIQSUJLHBL-MRVPVSSYSA-N
MW197.67 g/mol
LogP2.64
Rot. Bonds3

About (3R)-3-chloro-N-phenylbutanamide

(3R)-3-chloro-N-phenylbutanamide (PubChem CID 94188827) has the molecular formula C10H12ClNO and a molecular weight of 197.67 g/mol. Its IUPAC name is (3R)-3-chloro-N-phenylbutanamide.

Molecular Properties

Compound Name(3R)-3-chloro-N-phenylbutanamide
PubChem CID94188827
Molecular FormulaC10H12ClNO
Molecular Weight197.67 g/mol
Exact Mass197.06
IUPAC Name(3R)-3-chloro-N-phenylbutanamide
SMILESC[C@@H](Cl)CC(=O)Nc1ccccc1
InChIInChI=1S/C10H12ClNO/c1-8(11)7-10(13)12-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H,12,13)/t8-/m1/s1
InChIKeyVVAFDIQSUJLHBL-MRVPVSSYSA-N
XLogP2.64
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.67
LogP ≤ 52.64
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

3-chloro-N-(4-chlorophenyl)butanamide
CID 10681053
(3S)-3,4-dimethyl-N-phenylpentanamide
CID 102017324
3-methyl-N-[4-(phenylcarbamoylamino)phenyl]butanamide
CID 17193970
4,4,4-trichloro-3-hydroxy-N-phenylbutanamide
CID 5000265
1-(2-chloropropyl)-3-phenylurea
CID 70181020
2-[(4-anilino-4-oxobutan-2-yl)amino]propanoic acid
CID 114244259
3-amino-N-phenylpentanamide
CID 79006475
4-hydroxy-3-oxo-N-phenylpentanamide
CID 163189970
(3R)-3-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-phenylbutanamide
CID 97018627
3-(2,2-difluoroethylamino)-N-phenylbutanamide
CID 114244264
5-anilino-2-methyl-5-oxopentanoic acid
CID 2950289
(2R)-5-anilino-2-methyl-5-oxopentanoic acid
CID 976695

Frequently Asked Questions

What is the IUPAC name of (3R)-3-chloro-N-phenylbutanamide?
The IUPAC name of (3R)-3-chloro-N-phenylbutanamide (CID 94188827) is (3R)-3-chloro-N-phenylbutanamide.
What is the SMILES notation for (3R)-3-chloro-N-phenylbutanamide?
The canonical SMILES for (3R)-3-chloro-N-phenylbutanamide is C[C@@H](Cl)CC(=O)Nc1ccccc1.
What is the InChIKey of (3R)-3-chloro-N-phenylbutanamide?
The InChIKey is VVAFDIQSUJLHBL-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H12ClNO/c1-8(11)7-10(13)12-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H,12,13)/t8-/m1/s1.
What are the key properties of (3R)-3-chloro-N-phenylbutanamide?
(3R)-3-chloro-N-phenylbutanamide has a molecular weight of 197.67 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-chloro-N-phenylbutanamide is sourced from PubChem (CID 94188827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).