2-chloro-5-(2-phenylbutanoylamino)benzamide

C17H17ClN2O2 — CID 42949295

IUPAC2-chloro-5-(2-phenylbutanoylamino)benzamide
SMILESCCC(C(=O)Nc1ccc(Cl)c(C(N)=O)c1)c1ccccc1
InChIInChI=1S/C17H17ClN2O2/c1-2-13(11-6-4-3-5-7-11)17(22)20-12-8-9-15(18)14(10-12)16(19)21/h3-10,13H,2H2,1H3,(H2,19,21)(H,20,22)
InChIKeyALQIYPNHLVYUBN-UHFFFAOYSA-N
MW316.79 g/mol
LogP3.57
Rot. Bonds5

About 2-chloro-5-(2-phenylbutanoylamino)benzamide

2-chloro-5-(2-phenylbutanoylamino)benzamide (PubChem CID 42949295) has the molecular formula C17H17ClN2O2 and a molecular weight of 316.79 g/mol. Its IUPAC name is 2-chloro-5-(2-phenylbutanoylamino)benzamide.

Molecular Properties

Compound Name2-chloro-5-(2-phenylbutanoylamino)benzamide
PubChem CID42949295
Molecular FormulaC17H17ClN2O2
Molecular Weight316.79 g/mol
Exact Mass316.10
IUPAC Name2-chloro-5-(2-phenylbutanoylamino)benzamide
SMILESCCC(C(=O)Nc1ccc(Cl)c(C(N)=O)c1)c1ccccc1
InChIInChI=1S/C17H17ClN2O2/c1-2-13(11-6-4-3-5-7-11)17(22)20-12-8-9-15(18)14(10-12)16(19)21/h3-10,13H,2H2,1H3,(H2,19,21)(H,20,22)
InChIKeyALQIYPNHLVYUBN-UHFFFAOYSA-N
XLogP3.57
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.79
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-[[(2S)-2-amino-2-phenylacetyl]amino]-2-chlorobenzamide
CID 104897291
2-(6-ethoxynaphthalen-2-yl)-5-(2-phenylbutanoylamino)benzamide
CID 11698145
(2S)-2-phenyl-N-(4-propan-2-ylphenyl)butanamide
CID 803292
(2R)-N-(4-methylphenyl)-2-phenylbutanamide
CID 835806
N-(4-hydroxyphenyl)-2-phenylbutanamide
CID 17708
(2S)-N-[4-methyl-3-[[(2R)-2-phenylbutanoyl]amino]phenyl]-2-phenylbutanamide
CID 7314167
2-chloro-5-[[3-(ethylamino)-2-methylpropanoyl]amino]benzamide
CID 55122685
5-[[(2S)-2-aminopentanoyl]amino]-2-chlorobenzamide
CID 107568557
N-(4-bromo-3-methylphenyl)-2-phenylbutanamide
CID 2905555
N-(4-ethylphenyl)-2-phenylbutanamide
CID 2905197
4-[[(2S)-2-amino-2-phenylacetyl]amino]-2-chlorobenzamide
CID 104897353
N-(3-ethylphenyl)-2-phenylbutanamide
CID 2931545

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(2-phenylbutanoylamino)benzamide?
The IUPAC name of 2-chloro-5-(2-phenylbutanoylamino)benzamide (CID 42949295) is 2-chloro-5-(2-phenylbutanoylamino)benzamide.
What is the SMILES notation for 2-chloro-5-(2-phenylbutanoylamino)benzamide?
The canonical SMILES for 2-chloro-5-(2-phenylbutanoylamino)benzamide is CCC(C(=O)Nc1ccc(Cl)c(C(N)=O)c1)c1ccccc1.
What is the InChIKey of 2-chloro-5-(2-phenylbutanoylamino)benzamide?
The InChIKey is ALQIYPNHLVYUBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O2/c1-2-13(11-6-4-3-5-7-11)17(22)20-12-8-9-15(18)14(10-12)16(19)21/h3-10,13H,2H2,1H3,(H2,19,21)(H,20,22).
What are the key properties of 2-chloro-5-(2-phenylbutanoylamino)benzamide?
2-chloro-5-(2-phenylbutanoylamino)benzamide has a molecular weight of 316.79 g/mol, XLogP of 3.57, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(2-phenylbutanoylamino)benzamide is sourced from PubChem (CID 42949295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).