N-[4-(2-amino-3-hydroxypropyl)phenyl]benzamide

C16H18N2O2 — CID 22634902

IUPACN-[4-(2-amino-3-hydroxypropyl)phenyl]benzamide
SMILESNC(CO)Cc1ccc(NC(=O)c2ccccc2)cc1
InChIInChI=1S/C16H18N2O2/c17-14(11-19)10-12-6-8-15(9-7-12)18-16(20)13-4-2-1-3-5-13/h1-9,14,19H,10-11,17H2,(H,18,20)
InChIKeyBDAQRQSFNFHOKK-UHFFFAOYSA-N
MW270.33 g/mol
LogP1.80
Rot. Bonds5

About N-[4-(2-amino-3-hydroxypropyl)phenyl]benzamide

N-[4-(2-amino-3-hydroxypropyl)phenyl]benzamide (PubChem CID 22634902) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is N-[4-(2-amino-3-hydroxypropyl)phenyl]benzamide.

Molecular Properties

Compound NameN-[4-(2-amino-3-hydroxypropyl)phenyl]benzamide
PubChem CID22634902
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC NameN-[4-(2-amino-3-hydroxypropyl)phenyl]benzamide
SMILESNC(CO)Cc1ccc(NC(=O)c2ccccc2)cc1
InChIInChI=1S/C16H18N2O2/c17-14(11-19)10-12-6-8-15(9-7-12)18-16(20)13-4-2-1-3-5-13/h1-9,14,19H,10-11,17H2,(H,18,20)
InChIKeyBDAQRQSFNFHOKK-UHFFFAOYSA-N
XLogP1.80
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 51.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-3-[4-[(4-phenylbenzoyl)amino]phenyl]propanoic acid
CID 58987459
N-[4-(sulfanylmethyl)phenyl]benzamide
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N-(4-ethylphenyl)benzamide
CID 774063
(4-benzamidophenyl)carbamic acid
CID 18543096
2-amino-2-[3-(4-benzamidophenyl)propanoylamino]acetic acid
CID 69264462
N-(4-prop-2-enylphenyl)benzamide
CID 67934091
N-[4-(4-phenylphenyl)phenyl]benzamide
CID 59742294
N-[2-deuterio-4-(hydroxymethyl)phenyl]benzamide
CID 175908622
N-[4-(phenoxymethyl)phenyl]benzamide
CID 141092226
4-benzamido-N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]benzamide
CID 39683129
molecular hydrogen;N-phenylbenzamide
CID 145238042
N-[4-[(2-methylhydrazinyl)methyl]phenyl]benzamide;hydrobromide
CID 161255145

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-amino-3-hydroxypropyl)phenyl]benzamide?
The IUPAC name of N-[4-(2-amino-3-hydroxypropyl)phenyl]benzamide (CID 22634902) is N-[4-(2-amino-3-hydroxypropyl)phenyl]benzamide.
What is the SMILES notation for N-[4-(2-amino-3-hydroxypropyl)phenyl]benzamide?
The canonical SMILES for N-[4-(2-amino-3-hydroxypropyl)phenyl]benzamide is NC(CO)Cc1ccc(NC(=O)c2ccccc2)cc1.
What is the InChIKey of N-[4-(2-amino-3-hydroxypropyl)phenyl]benzamide?
The InChIKey is BDAQRQSFNFHOKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c17-14(11-19)10-12-6-8-15(9-7-12)18-16(20)13-4-2-1-3-5-13/h1-9,14,19H,10-11,17H2,(H,18,20).
What are the key properties of N-[4-(2-amino-3-hydroxypropyl)phenyl]benzamide?
N-[4-(2-amino-3-hydroxypropyl)phenyl]benzamide has a molecular weight of 270.33 g/mol, XLogP of 1.80, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-amino-3-hydroxypropyl)phenyl]benzamide is sourced from PubChem (CID 22634902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).