2-chloro-5-[[(2R)-2-ethoxypropanoyl]amino]-N-phenylbenzamide

C18H19ClN2O3 — CID 96550328

IUPAC2-chloro-5-[[(2R)-2-ethoxypropanoyl]amino]-N-phenylbenzamide
SMILESCCO[C@H](C)C(=O)Nc1ccc(Cl)c(C(=O)Nc2ccccc2)c1
InChIInChI=1S/C18H19ClN2O3/c1-3-24-12(2)17(22)21-14-9-10-16(19)15(11-14)18(23)20-13-7-5-4-6-8-13/h4-12H,3H2,1-2H3,(H,20,23)(H,21,22)/t12-/m1/s1
InChIKeyKJCXRWSSGZVTFZ-GFCCVEGCSA-N
MW346.81 g/mol
LogP3.96
Rot. Bonds6

About 2-chloro-5-[[(2R)-2-ethoxypropanoyl]amino]-N-phenylbenzamide

2-chloro-5-[[(2R)-2-ethoxypropanoyl]amino]-N-phenylbenzamide (PubChem CID 96550328) has the molecular formula C18H19ClN2O3 and a molecular weight of 346.81 g/mol. Its IUPAC name is 2-chloro-5-[[(2R)-2-ethoxypropanoyl]amino]-N-phenylbenzamide.

Molecular Properties

Compound Name2-chloro-5-[[(2R)-2-ethoxypropanoyl]amino]-N-phenylbenzamide
PubChem CID96550328
Molecular FormulaC18H19ClN2O3
Molecular Weight346.81 g/mol
Exact Mass346.11
IUPAC Name2-chloro-5-[[(2R)-2-ethoxypropanoyl]amino]-N-phenylbenzamide
SMILESCCO[C@H](C)C(=O)Nc1ccc(Cl)c(C(=O)Nc2ccccc2)c1
InChIInChI=1S/C18H19ClN2O3/c1-3-24-12(2)17(22)21-14-9-10-16(19)15(11-14)18(23)20-13-7-5-4-6-8-13/h4-12H,3H2,1-2H3,(H,20,23)(H,21,22)/t12-/m1/s1
InChIKeyKJCXRWSSGZVTFZ-GFCCVEGCSA-N
XLogP3.96
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.81
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-phenyl-5-(2-phenylmethoxypropanoylamino)benzamide
CID 86954742
N-(3-aminophenyl)-2-ethoxypropanamide
CID 16782214
2-chloro-5-[[4-[ethyl(methyl)amino]benzoyl]amino]-N-phenylbenzamide
CID 86954752
2-chloro-5-(2-methoxypropanoylamino)benzoic acid
CID 112685827
N-(3-cyanophenyl)-2-ethoxypropanamide
CID 43187565
2-[(2R)-1-(4-ethylanilino)-1-oxopropan-2-yl]oxy-N-phenylbenzamide
CID 7980806
2-chloro-5-iodo-N-[4-(2-methylpropanoylamino)phenyl]benzamide
CID 1297056
2-chloro-5-(2-methoxypropanoylamino)benzamide
CID 47303789
2-chloro-N-methyl-5-(2-methylpropanoylamino)benzamide
CID 47263248
2-(1-anilino-1-oxopropan-2-yl)oxy-N-phenylpropanamide
CID 141218606
(2R)-2-methoxy-N-phenylpropanamide
CID 11805321
2-(2-ethoxypropylamino)-N-phenylpropanamide
CID 115663967

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[[(2R)-2-ethoxypropanoyl]amino]-N-phenylbenzamide?
The IUPAC name of 2-chloro-5-[[(2R)-2-ethoxypropanoyl]amino]-N-phenylbenzamide (CID 96550328) is 2-chloro-5-[[(2R)-2-ethoxypropanoyl]amino]-N-phenylbenzamide.
What is the SMILES notation for 2-chloro-5-[[(2R)-2-ethoxypropanoyl]amino]-N-phenylbenzamide?
The canonical SMILES for 2-chloro-5-[[(2R)-2-ethoxypropanoyl]amino]-N-phenylbenzamide is CCO[C@H](C)C(=O)Nc1ccc(Cl)c(C(=O)Nc2ccccc2)c1.
What is the InChIKey of 2-chloro-5-[[(2R)-2-ethoxypropanoyl]amino]-N-phenylbenzamide?
The InChIKey is KJCXRWSSGZVTFZ-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H19ClN2O3/c1-3-24-12(2)17(22)21-14-9-10-16(19)15(11-14)18(23)20-13-7-5-4-6-8-13/h4-12H,3H2,1-2H3,(H,20,23)(H,21,22)/t12-/m1/s1.
What are the key properties of 2-chloro-5-[[(2R)-2-ethoxypropanoyl]amino]-N-phenylbenzamide?
2-chloro-5-[[(2R)-2-ethoxypropanoyl]amino]-N-phenylbenzamide has a molecular weight of 346.81 g/mol, XLogP of 3.96, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[[(2R)-2-ethoxypropanoyl]amino]-N-phenylbenzamide is sourced from PubChem (CID 96550328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).