3-amino-4-chloro-N-(2-hydroxy-1-phenylethyl)benzamide

C15H15ClN2O2 — CID 63184761

IUPAC3-amino-4-chloro-N-(2-hydroxy-1-phenylethyl)benzamide
SMILESNc1cc(C(=O)NC(CO)c2ccccc2)ccc1Cl
InChIInChI=1S/C15H15ClN2O2/c16-12-7-6-11(8-13(12)17)15(20)18-14(9-19)10-4-2-1-3-5-10/h1-8,14,19H,9,17H2,(H,18,20)
InChIKeyCOLPZEDPAUCIFI-UHFFFAOYSA-N
MW290.75 g/mol
LogP2.39
Rot. Bonds4

About 3-amino-4-chloro-N-(2-hydroxy-1-phenylethyl)benzamide

3-amino-4-chloro-N-(2-hydroxy-1-phenylethyl)benzamide (PubChem CID 63184761) has the molecular formula C15H15ClN2O2 and a molecular weight of 290.75 g/mol. Its IUPAC name is 3-amino-4-chloro-N-(2-hydroxy-1-phenylethyl)benzamide.

Molecular Properties

Compound Name3-amino-4-chloro-N-(2-hydroxy-1-phenylethyl)benzamide
PubChem CID63184761
Molecular FormulaC15H15ClN2O2
Molecular Weight290.75 g/mol
Exact Mass290.08
IUPAC Name3-amino-4-chloro-N-(2-hydroxy-1-phenylethyl)benzamide
SMILESNc1cc(C(=O)NC(CO)c2ccccc2)ccc1Cl
InChIInChI=1S/C15H15ClN2O2/c16-12-7-6-11(8-13(12)17)15(20)18-14(9-19)10-4-2-1-3-5-10/h1-8,14,19H,9,17H2,(H,18,20)
InChIKeyCOLPZEDPAUCIFI-UHFFFAOYSA-N
XLogP2.39
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.75
LogP ≤ 52.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-3-fluoro-N-(2-hydroxy-1-phenylethyl)benzamide
CID 103944860
2-[(3-amino-4-chlorobenzoyl)amino]-2-phenylacetic acid
CID 61157313
3-chloro-4-fluoro-N-[(1R)-2-hydroxy-1-phenylethyl]benzamide
CID 103944456
4-chloro-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide
CID 1480121
1-N,3-N-bis[(1S)-2-hydroxy-1-phenylethyl]benzene-1,3-dicarboxamide
CID 71413066
1-N,3-N,5-N-tris(2-hydroxy-1-phenylethyl)benzene-1,3,5-tricarboxamide
CID 139248401
3-amino-4-chloro-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]benzamide
CID 107860609
N-(2-hydroxy-1-phenylethyl)benzamide
CID 14150746
3,4-dihydroxy-N-(2-hydroxy-1-phenylethyl)benzamide
CID 103958252
4-N-(2-hydroxy-1-phenylethyl)benzene-1,4-dicarboxamide
CID 63182176
N-(2-hydroxy-1-phenylethyl)benzamide;hydrochloride
CID 175746997
3-amino-5-fluoro-N-[(1S)-2-hydroxy-1-phenylethyl]-4-methylbenzamide
CID 107861714

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-chloro-N-(2-hydroxy-1-phenylethyl)benzamide?
The IUPAC name of 3-amino-4-chloro-N-(2-hydroxy-1-phenylethyl)benzamide (CID 63184761) is 3-amino-4-chloro-N-(2-hydroxy-1-phenylethyl)benzamide.
What is the SMILES notation for 3-amino-4-chloro-N-(2-hydroxy-1-phenylethyl)benzamide?
The canonical SMILES for 3-amino-4-chloro-N-(2-hydroxy-1-phenylethyl)benzamide is Nc1cc(C(=O)NC(CO)c2ccccc2)ccc1Cl.
What is the InChIKey of 3-amino-4-chloro-N-(2-hydroxy-1-phenylethyl)benzamide?
The InChIKey is COLPZEDPAUCIFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O2/c16-12-7-6-11(8-13(12)17)15(20)18-14(9-19)10-4-2-1-3-5-10/h1-8,14,19H,9,17H2,(H,18,20).
What are the key properties of 3-amino-4-chloro-N-(2-hydroxy-1-phenylethyl)benzamide?
3-amino-4-chloro-N-(2-hydroxy-1-phenylethyl)benzamide has a molecular weight of 290.75 g/mol, XLogP of 2.39, 4 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-(2-hydroxy-1-phenylethyl)benzamide is sourced from PubChem (CID 63184761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).