3-[(4-chlorophenyl)methylamino]-N-(2-phenoxyphenyl)propanamide

C22H21ClN2O2 — CID 109021922

IUPAC3-[(4-chlorophenyl)methylamino]-N-(2-phenoxyphenyl)propanamide
SMILESO=C(CCNCc1ccc(Cl)cc1)Nc1ccccc1Oc1ccccc1
InChIInChI=1S/C22H21ClN2O2/c23-18-12-10-17(11-13-18)16-24-15-14-22(26)25-20-8-4-5-9-21(20)27-19-6-2-1-3-7-19/h1-13,24H,14-16H2,(H,25,26)
InChIKeyBBUGIWKCKHCCLC-UHFFFAOYSA-N
MW380.88 g/mol
LogP5.25
Rot. Bonds8

About 3-[(4-chlorophenyl)methylamino]-N-(2-phenoxyphenyl)propanamide

3-[(4-chlorophenyl)methylamino]-N-(2-phenoxyphenyl)propanamide (PubChem CID 109021922) has the molecular formula C22H21ClN2O2 and a molecular weight of 380.88 g/mol. Its IUPAC name is 3-[(4-chlorophenyl)methylamino]-N-(2-phenoxyphenyl)propanamide.

Molecular Properties

Compound Name3-[(4-chlorophenyl)methylamino]-N-(2-phenoxyphenyl)propanamide
PubChem CID109021922
Molecular FormulaC22H21ClN2O2
Molecular Weight380.88 g/mol
Exact Mass380.13
IUPAC Name3-[(4-chlorophenyl)methylamino]-N-(2-phenoxyphenyl)propanamide
SMILESO=C(CCNCc1ccc(Cl)cc1)Nc1ccccc1Oc1ccccc1
InChIInChI=1S/C22H21ClN2O2/c23-18-12-10-17(11-13-18)16-24-15-14-22(26)25-20-8-4-5-9-21(20)27-19-6-2-1-3-7-19/h1-13,24H,14-16H2,(H,25,26)
InChIKeyBBUGIWKCKHCCLC-UHFFFAOYSA-N
XLogP5.25
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.88
LogP ≤ 55.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[(4-chlorophenyl)methylamino]-N-(2-phenoxyphenyl)acetamide
CID 108998186
N-(2-phenoxyphenyl)-3-(pyridin-4-ylmethylamino)propanamide
CID 109024062
3-[(4-chlorophenyl)methylamino]-N-(2-fluorophenyl)propanamide
CID 109021863
N-(2-phenoxyphenyl)-3-(pyridin-2-ylmethylamino)propanamide
CID 109023444
3-[(4-chlorophenyl)methylamino]-N-[2-(trifluoromethyl)phenyl]propanamide
CID 109021889
3-[(4-chlorophenyl)methylamino]-N-(2,5-dichlorophenyl)propanamide
CID 109021928
N-(5-chloro-2-phenoxyphenyl)-3-phenylpropanamide
CID 2212566
N-(2-phenoxyphenyl)-3-(propan-2-ylamino)propanamide
CID 109011722
N-(2-phenoxyphenyl)-2-phenylacetamide
CID 1121260
3-(4-methylanilino)-N-(2-phenoxyphenyl)propanamide
CID 109034509
3-(2-chlorophenoxy)-N-(5-chloro-2-phenoxyphenyl)propanamide
CID 108789526
3-[(4-chlorophenyl)methylamino]-N-(2,5-dimethylphenyl)propanamide
CID 109021847

Frequently Asked Questions

What is the IUPAC name of 3-[(4-chlorophenyl)methylamino]-N-(2-phenoxyphenyl)propanamide?
The IUPAC name of 3-[(4-chlorophenyl)methylamino]-N-(2-phenoxyphenyl)propanamide (CID 109021922) is 3-[(4-chlorophenyl)methylamino]-N-(2-phenoxyphenyl)propanamide.
What is the SMILES notation for 3-[(4-chlorophenyl)methylamino]-N-(2-phenoxyphenyl)propanamide?
The canonical SMILES for 3-[(4-chlorophenyl)methylamino]-N-(2-phenoxyphenyl)propanamide is O=C(CCNCc1ccc(Cl)cc1)Nc1ccccc1Oc1ccccc1.
What is the InChIKey of 3-[(4-chlorophenyl)methylamino]-N-(2-phenoxyphenyl)propanamide?
The InChIKey is BBUGIWKCKHCCLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN2O2/c23-18-12-10-17(11-13-18)16-24-15-14-22(26)25-20-8-4-5-9-21(20)27-19-6-2-1-3-7-19/h1-13,24H,14-16H2,(H,25,26).
What are the key properties of 3-[(4-chlorophenyl)methylamino]-N-(2-phenoxyphenyl)propanamide?
3-[(4-chlorophenyl)methylamino]-N-(2-phenoxyphenyl)propanamide has a molecular weight of 380.88 g/mol, XLogP of 5.25, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chlorophenyl)methylamino]-N-(2-phenoxyphenyl)propanamide is sourced from PubChem (CID 109021922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).