2-amino-N-(4-chloro-3-methoxyphenyl)-2-phenylpropanamide

C16H17ClN2O2 — CID 107621841

IUPAC2-amino-N-(4-chloro-3-methoxyphenyl)-2-phenylpropanamide
SMILESCOc1cc(NC(=O)C(C)(N)c2ccccc2)ccc1Cl
InChIInChI=1S/C16H17ClN2O2/c1-16(18,11-6-4-3-5-7-11)15(20)19-12-8-9-13(17)14(10-12)21-2/h3-10H,18H2,1-2H3,(H,19,20)
InChIKeyQOHBPTOIQWWSOB-UHFFFAOYSA-N
MW304.78 g/mol
LogP3.16
Rot. Bonds4

About 2-amino-N-(4-chloro-3-methoxyphenyl)-2-phenylpropanamide

2-amino-N-(4-chloro-3-methoxyphenyl)-2-phenylpropanamide (PubChem CID 107621841) has the molecular formula C16H17ClN2O2 and a molecular weight of 304.78 g/mol. Its IUPAC name is 2-amino-N-(4-chloro-3-methoxyphenyl)-2-phenylpropanamide.

Molecular Properties

Compound Name2-amino-N-(4-chloro-3-methoxyphenyl)-2-phenylpropanamide
PubChem CID107621841
Molecular FormulaC16H17ClN2O2
Molecular Weight304.78 g/mol
Exact Mass304.10
IUPAC Name2-amino-N-(4-chloro-3-methoxyphenyl)-2-phenylpropanamide
SMILESCOc1cc(NC(=O)C(C)(N)c2ccccc2)ccc1Cl
InChIInChI=1S/C16H17ClN2O2/c1-16(18,11-6-4-3-5-7-11)15(20)19-12-8-9-13(17)14(10-12)21-2/h3-10H,18H2,1-2H3,(H,19,20)
InChIKeyQOHBPTOIQWWSOB-UHFFFAOYSA-N
XLogP3.16
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.78
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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2-amino-N-(2,3-dihydro-1H-inden-5-yl)-2-phenylpropanamide;hydrochloride
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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(4-chloro-3-methoxyphenyl)-2-phenylpropanamide?
The IUPAC name of 2-amino-N-(4-chloro-3-methoxyphenyl)-2-phenylpropanamide (CID 107621841) is 2-amino-N-(4-chloro-3-methoxyphenyl)-2-phenylpropanamide.
What is the SMILES notation for 2-amino-N-(4-chloro-3-methoxyphenyl)-2-phenylpropanamide?
The canonical SMILES for 2-amino-N-(4-chloro-3-methoxyphenyl)-2-phenylpropanamide is COc1cc(NC(=O)C(C)(N)c2ccccc2)ccc1Cl.
What is the InChIKey of 2-amino-N-(4-chloro-3-methoxyphenyl)-2-phenylpropanamide?
The InChIKey is QOHBPTOIQWWSOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O2/c1-16(18,11-6-4-3-5-7-11)15(20)19-12-8-9-13(17)14(10-12)21-2/h3-10H,18H2,1-2H3,(H,19,20).
What are the key properties of 2-amino-N-(4-chloro-3-methoxyphenyl)-2-phenylpropanamide?
2-amino-N-(4-chloro-3-methoxyphenyl)-2-phenylpropanamide has a molecular weight of 304.78 g/mol, XLogP of 3.16, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(4-chloro-3-methoxyphenyl)-2-phenylpropanamide is sourced from PubChem (CID 107621841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).