2-amino-N-(3-chloro-4-propan-2-yloxyphenyl)-2-phenylpropanamide

C18H21ClN2O2 — CID 120588419

IUPAC2-amino-N-(3-chloro-4-propan-2-yloxyphenyl)-2-phenylpropanamide
SMILESCC(C)Oc1ccc(NC(=O)C(C)(N)c2ccccc2)cc1Cl
InChIInChI=1S/C18H21ClN2O2/c1-12(2)23-16-10-9-14(11-15(16)19)21-17(22)18(3,20)13-7-5-4-6-8-13/h4-12H,20H2,1-3H3,(H,21,22)
InChIKeyXRTJOMHZLKFPTO-UHFFFAOYSA-N
MW332.83 g/mol
LogP3.94
Rot. Bonds5

About 2-amino-N-(3-chloro-4-propan-2-yloxyphenyl)-2-phenylpropanamide

2-amino-N-(3-chloro-4-propan-2-yloxyphenyl)-2-phenylpropanamide (PubChem CID 120588419) has the molecular formula C18H21ClN2O2 and a molecular weight of 332.83 g/mol. Its IUPAC name is 2-amino-N-(3-chloro-4-propan-2-yloxyphenyl)-2-phenylpropanamide.

Molecular Properties

Compound Name2-amino-N-(3-chloro-4-propan-2-yloxyphenyl)-2-phenylpropanamide
PubChem CID120588419
Molecular FormulaC18H21ClN2O2
Molecular Weight332.83 g/mol
Exact Mass332.13
IUPAC Name2-amino-N-(3-chloro-4-propan-2-yloxyphenyl)-2-phenylpropanamide
SMILESCC(C)Oc1ccc(NC(=O)C(C)(N)c2ccccc2)cc1Cl
InChIInChI=1S/C18H21ClN2O2/c1-12(2)23-16-10-9-14(11-15(16)19)21-17(22)18(3,20)13-7-5-4-6-8-13/h4-12H,20H2,1-3H3,(H,21,22)
InChIKeyXRTJOMHZLKFPTO-UHFFFAOYSA-N
XLogP3.94
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.83
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-(4-chloro-3-methoxyphenyl)-2-phenylpropanamide
CID 107621841
2-amino-N-(4-chloro-3-fluorophenyl)-2-phenylpropanamide
CID 62487359
2-amino-N-(3-hydroxy-4-methoxyphenyl)-2-phenylpropanamide
CID 62488059
2-amino-N-(4-bromo-3-methylphenyl)-2-phenylpropanamide
CID 62488915
3-(3-chloro-4-propan-2-yloxyanilino)-3-oxopropanoic acid
CID 62231321
2-amino-N-(3-bromo-5-propan-2-yloxyphenyl)-2-phenylpropanamide;hydrochloride
CID 120594284
ethyl N-(3-chloro-4-propan-2-yloxyphenyl)carbamate
CID 60747816
N-(3-chloro-4-propan-2-yloxyphenyl)-2-methoxypropanamide
CID 47306002
4-[(2-amino-2-phenylpropanoyl)amino]-2-methyl-N-propan-2-ylbenzamide
CID 120592023
4-[(2-amino-2-phenylpropanoyl)amino]-2-chloro-N-(2-methoxyethyl)benzamide;hydrochloride
CID 120589553
4-amino-N-(3-chloro-4-propan-2-yloxyphenyl)benzamide
CID 43712010
2-[2-[(3-chloro-4-propan-2-yloxyphenyl)carbamoyl]phenyl]sulfanylpropanoic acid
CID 119181392

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3-chloro-4-propan-2-yloxyphenyl)-2-phenylpropanamide?
The IUPAC name of 2-amino-N-(3-chloro-4-propan-2-yloxyphenyl)-2-phenylpropanamide (CID 120588419) is 2-amino-N-(3-chloro-4-propan-2-yloxyphenyl)-2-phenylpropanamide.
What is the SMILES notation for 2-amino-N-(3-chloro-4-propan-2-yloxyphenyl)-2-phenylpropanamide?
The canonical SMILES for 2-amino-N-(3-chloro-4-propan-2-yloxyphenyl)-2-phenylpropanamide is CC(C)Oc1ccc(NC(=O)C(C)(N)c2ccccc2)cc1Cl.
What is the InChIKey of 2-amino-N-(3-chloro-4-propan-2-yloxyphenyl)-2-phenylpropanamide?
The InChIKey is XRTJOMHZLKFPTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O2/c1-12(2)23-16-10-9-14(11-15(16)19)21-17(22)18(3,20)13-7-5-4-6-8-13/h4-12H,20H2,1-3H3,(H,21,22).
What are the key properties of 2-amino-N-(3-chloro-4-propan-2-yloxyphenyl)-2-phenylpropanamide?
2-amino-N-(3-chloro-4-propan-2-yloxyphenyl)-2-phenylpropanamide has a molecular weight of 332.83 g/mol, XLogP of 3.94, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(3-chloro-4-propan-2-yloxyphenyl)-2-phenylpropanamide is sourced from PubChem (CID 120588419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).