(3S)-3-(2-chlorophenyl)-3-hydroxy-N-phenylmethoxypropanamide

C16H16ClNO3 — CID 88853307

IUPAC(3S)-3-(2-chlorophenyl)-3-hydroxy-N-phenylmethoxypropanamide
SMILESO=C(C[C@H](O)c1ccccc1Cl)NOCc1ccccc1
InChIInChI=1S/C16H16ClNO3/c17-14-9-5-4-8-13(14)15(19)10-16(20)18-21-11-12-6-2-1-3-7-12/h1-9,15,19H,10-11H2,(H,18,20)/t15-/m0/s1
InChIKeyBLUAHFBQWCIYFV-HNNXBMFYSA-N
MW305.76 g/mol
LogP3.01
Rot. Bonds6

About (3S)-3-(2-chlorophenyl)-3-hydroxy-N-phenylmethoxypropanamide

(3S)-3-(2-chlorophenyl)-3-hydroxy-N-phenylmethoxypropanamide (PubChem CID 88853307) has the molecular formula C16H16ClNO3 and a molecular weight of 305.76 g/mol. Its IUPAC name is (3S)-3-(2-chlorophenyl)-3-hydroxy-N-phenylmethoxypropanamide.

Molecular Properties

Compound Name(3S)-3-(2-chlorophenyl)-3-hydroxy-N-phenylmethoxypropanamide
PubChem CID88853307
Molecular FormulaC16H16ClNO3
Molecular Weight305.76 g/mol
Exact Mass305.08
IUPAC Name(3S)-3-(2-chlorophenyl)-3-hydroxy-N-phenylmethoxypropanamide
SMILESO=C(C[C@H](O)c1ccccc1Cl)NOCc1ccccc1
InChIInChI=1S/C16H16ClNO3/c17-14-9-5-4-8-13(14)15(19)10-16(20)18-21-11-12-6-2-1-3-7-12/h1-9,15,19H,10-11H2,(H,18,20)/t15-/m0/s1
InChIKeyBLUAHFBQWCIYFV-HNNXBMFYSA-N
XLogP3.01
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.76
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(3R)-3-hydroxy-N-phenylmethoxybutanamide
CID 11106604
(3S)-3-(2-chlorophenyl)-3-hydroxypropanoic acid
CID 11975499
3-methyl-N-phenylmethoxypentanamide
CID 114875336
[2-hydroxy-4-oxo-4-(phenylmethoxyamino)butyl] acetate
CID 14082372
2-(3,4-dichlorophenyl)-N-phenylmethoxyacetamide
CID 8908973
2-(2,5-dichlorophenyl)sulfanyl-N-phenylmethoxyacetamide
CID 60627025
carbamoyl N-[2-(2-chlorophenyl)-2-hydroxyethyl]carbamate
CID 23292408
3-phenyl-N-phenylmethoxy-3-phenylsulfanylpropanamide
CID 10522748
4-amino-N-phenylmethoxypentanamide
CID 64974762
(3R)-3-hydroxy-4-(4-methoxyphenoxy)-N-phenylmethoxybutanamide
CID 11088854
methyl 3-(2-chlorophenyl)-3-(phenylmethoxycarbonylamino)propanoate
CID 58143336
1-chloro-4-(2-chlorophenyl)-4-hydroxybutan-2-one
CID 86094254

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(2-chlorophenyl)-3-hydroxy-N-phenylmethoxypropanamide?
The IUPAC name of (3S)-3-(2-chlorophenyl)-3-hydroxy-N-phenylmethoxypropanamide (CID 88853307) is (3S)-3-(2-chlorophenyl)-3-hydroxy-N-phenylmethoxypropanamide.
What is the SMILES notation for (3S)-3-(2-chlorophenyl)-3-hydroxy-N-phenylmethoxypropanamide?
The canonical SMILES for (3S)-3-(2-chlorophenyl)-3-hydroxy-N-phenylmethoxypropanamide is O=C(C[C@H](O)c1ccccc1Cl)NOCc1ccccc1.
What is the InChIKey of (3S)-3-(2-chlorophenyl)-3-hydroxy-N-phenylmethoxypropanamide?
The InChIKey is BLUAHFBQWCIYFV-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H16ClNO3/c17-14-9-5-4-8-13(14)15(19)10-16(20)18-21-11-12-6-2-1-3-7-12/h1-9,15,19H,10-11H2,(H,18,20)/t15-/m0/s1.
What are the key properties of (3S)-3-(2-chlorophenyl)-3-hydroxy-N-phenylmethoxypropanamide?
(3S)-3-(2-chlorophenyl)-3-hydroxy-N-phenylmethoxypropanamide has a molecular weight of 305.76 g/mol, XLogP of 3.01, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(2-chlorophenyl)-3-hydroxy-N-phenylmethoxypropanamide is sourced from PubChem (CID 88853307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).