N-[4-[(Z)-1-amino-3-iminoprop-1-en-2-yl]phenyl]-3-(2-chlorophenyl)propanamide

C18H18ClN3O — CID 144631450

IUPACN-[4-[(Z)-1-amino-3-iminoprop-1-en-2-yl]phenyl]-3-(2-chlorophenyl)propanamide
SMILES[H]/N=C/C(=C\N)c1ccc(NC(=O)CCc2ccccc2Cl)cc1
InChIInChI=1S/C18H18ClN3O/c19-17-4-2-1-3-14(17)7-10-18(23)22-16-8-5-13(6-9-16)15(11-20)12-21/h1-6,8-9,11-12,20H,7,10,21H2,(H,22,23)/b15-12+,20-11+
InChIKeyLROCQUDXZGLHRD-OWUWXWLISA-N
MW327.82 g/mol
LogP3.86
Rot. Bonds6

About N-[4-[(Z)-1-amino-3-iminoprop-1-en-2-yl]phenyl]-3-(2-chlorophenyl)propanamide

N-[4-[(Z)-1-amino-3-iminoprop-1-en-2-yl]phenyl]-3-(2-chlorophenyl)propanamide (PubChem CID 144631450) has the molecular formula C18H18ClN3O and a molecular weight of 327.82 g/mol. Its IUPAC name is N-[4-[(Z)-1-amino-3-iminoprop-1-en-2-yl]phenyl]-3-(2-chlorophenyl)propanamide.

Molecular Properties

Compound NameN-[4-[(Z)-1-amino-3-iminoprop-1-en-2-yl]phenyl]-3-(2-chlorophenyl)propanamide
PubChem CID144631450
Molecular FormulaC18H18ClN3O
Molecular Weight327.82 g/mol
Exact Mass327.11
IUPAC NameN-[4-[(Z)-1-amino-3-iminoprop-1-en-2-yl]phenyl]-3-(2-chlorophenyl)propanamide
SMILES[H]/N=C/C(=C\N)c1ccc(NC(=O)CCc2ccccc2Cl)cc1
InChIInChI=1S/C18H18ClN3O/c19-17-4-2-1-3-14(17)7-10-18(23)22-16-8-5-13(6-9-16)15(11-20)12-21/h1-6,8-9,11-12,20H,7,10,21H2,(H,22,23)/b15-12+,20-11+
InChIKeyLROCQUDXZGLHRD-OWUWXWLISA-N
XLogP3.86
TPSA78.97 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.82
LogP ≤ 53.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

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3-(2-chlorophenyl)-N-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]propanamide
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[4-[[4-[3-(2-chlorophenyl)propanoylamino]phenyl]carbamoyl]phenyl] ethyl carbonate
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4-[3-(2-chlorophenyl)propanoylamino]-N-(1-phenylethyl)benzamide
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3-(2-chlorophenyl)-N-[4-(4-nitrophenyl)sulfonylphenyl]propanamide
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N-(4-butoxyphenyl)-3-(2-chlorophenyl)propanamide
CID 17179033
3-(2-chlorophenyl)-N-(4-propoxyphenyl)propanamide
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3-(2,3-dichlorophenyl)-N-phenylpropanamide
CID 38885504
N-[4-(benzylsulfamoyl)phenyl]-3-(2-chlorophenyl)propanamide
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Frequently Asked Questions

What is the IUPAC name of N-[4-[(Z)-1-amino-3-iminoprop-1-en-2-yl]phenyl]-3-(2-chlorophenyl)propanamide?
The IUPAC name of N-[4-[(Z)-1-amino-3-iminoprop-1-en-2-yl]phenyl]-3-(2-chlorophenyl)propanamide (CID 144631450) is N-[4-[(Z)-1-amino-3-iminoprop-1-en-2-yl]phenyl]-3-(2-chlorophenyl)propanamide.
What is the SMILES notation for N-[4-[(Z)-1-amino-3-iminoprop-1-en-2-yl]phenyl]-3-(2-chlorophenyl)propanamide?
The canonical SMILES for N-[4-[(Z)-1-amino-3-iminoprop-1-en-2-yl]phenyl]-3-(2-chlorophenyl)propanamide is [H]/N=C/C(=C\N)c1ccc(NC(=O)CCc2ccccc2Cl)cc1.
What is the InChIKey of N-[4-[(Z)-1-amino-3-iminoprop-1-en-2-yl]phenyl]-3-(2-chlorophenyl)propanamide?
The InChIKey is LROCQUDXZGLHRD-OWUWXWLISA-N. The full InChI is InChI=1S/C18H18ClN3O/c19-17-4-2-1-3-14(17)7-10-18(23)22-16-8-5-13(6-9-16)15(11-20)12-21/h1-6,8-9,11-12,20H,7,10,21H2,(H,22,23)/b15-12+,20-11+.
What are the key properties of N-[4-[(Z)-1-amino-3-iminoprop-1-en-2-yl]phenyl]-3-(2-chlorophenyl)propanamide?
N-[4-[(Z)-1-amino-3-iminoprop-1-en-2-yl]phenyl]-3-(2-chlorophenyl)propanamide has a molecular weight of 327.82 g/mol, XLogP of 3.86, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(Z)-1-amino-3-iminoprop-1-en-2-yl]phenyl]-3-(2-chlorophenyl)propanamide is sourced from PubChem (CID 144631450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).