3-amino-4-chloro-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]benzamide

C16H17ClN2O2 — CID 107860609

IUPAC3-amino-4-chloro-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]benzamide
SMILESNc1cc(C(=O)N[C@@H](CO)Cc2ccccc2)ccc1Cl
InChIInChI=1S/C16H17ClN2O2/c17-14-7-6-12(9-15(14)18)16(21)19-13(10-20)8-11-4-2-1-3-5-11/h1-7,9,13,20H,8,10,18H2,(H,19,21)/t13-/m1/s1
InChIKeyKBBUIKWZXMRYGD-CYBMUJFWSA-N
MW304.78 g/mol
LogP2.26
Rot. Bonds5

About 3-amino-4-chloro-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]benzamide

3-amino-4-chloro-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]benzamide (PubChem CID 107860609) has the molecular formula C16H17ClN2O2 and a molecular weight of 304.78 g/mol. Its IUPAC name is 3-amino-4-chloro-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]benzamide.

Molecular Properties

Compound Name3-amino-4-chloro-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]benzamide
PubChem CID107860609
Molecular FormulaC16H17ClN2O2
Molecular Weight304.78 g/mol
Exact Mass304.10
IUPAC Name3-amino-4-chloro-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]benzamide
SMILESNc1cc(C(=O)N[C@@H](CO)Cc2ccccc2)ccc1Cl
InChIInChI=1S/C16H17ClN2O2/c17-14-7-6-12(9-15(14)18)16(21)19-13(10-20)8-11-4-2-1-3-5-11/h1-7,9,13,20H,8,10,18H2,(H,19,21)/t13-/m1/s1
InChIKeyKBBUIKWZXMRYGD-CYBMUJFWSA-N
XLogP2.26
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.78
LogP ≤ 52.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 3-amino-4-chloro-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-chloro-4-fluoro-N-(1-hydroxy-3-phenylpropan-2-yl)benzamide
CID 82877236
1-N,3-N,5-N-tris[(2S)-1-hydroxy-3-phenylpropan-2-yl]benzene-1,3,5-tricarboxamide
CID 102400382
3-amino-4-chloro-N-(2-hydroxy-1-phenylethyl)benzamide
CID 63184761
3,4-dihydroxy-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]benzamide
CID 102103629
2,6-dichloro-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]pyridine-4-carboxamide
CID 102673888
N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]anthracene-2-carboxamide
CID 101341857
2-chloro-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]benzamide
CID 42364147
5,6-dichloro-N-(1-hydroxy-3-phenylpropan-2-yl)pyridine-3-carboxamide
CID 63259936
2-amino-3-chloro-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]benzamide
CID 107860587
3,5-dihydroxy-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]benzamide
CID 107861182
3-fluoro-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]benzamide
CID 39086919
3-fluoro-N-(1-hydroxy-3-phenylpropan-2-yl)benzamide
CID 63260610

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-chloro-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]benzamide?
The IUPAC name of 3-amino-4-chloro-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]benzamide (CID 107860609) is 3-amino-4-chloro-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]benzamide.
What is the SMILES notation for 3-amino-4-chloro-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]benzamide?
The canonical SMILES for 3-amino-4-chloro-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]benzamide is Nc1cc(C(=O)N[C@@H](CO)Cc2ccccc2)ccc1Cl.
What is the InChIKey of 3-amino-4-chloro-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]benzamide?
The InChIKey is KBBUIKWZXMRYGD-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H17ClN2O2/c17-14-7-6-12(9-15(14)18)16(21)19-13(10-20)8-11-4-2-1-3-5-11/h1-7,9,13,20H,8,10,18H2,(H,19,21)/t13-/m1/s1.
What are the key properties of 3-amino-4-chloro-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]benzamide?
3-amino-4-chloro-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]benzamide has a molecular weight of 304.78 g/mol, XLogP of 2.26, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-chloro-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]benzamide is sourced from PubChem (CID 107860609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).