N-(3-amino-4-chlorophenyl)-2-(N-methylanilino)propanamide

C16H18ClN3O — CID 16779007

IUPACN-(3-amino-4-chlorophenyl)-2-(N-methylanilino)propanamide
SMILESCC(C(=O)Nc1ccc(Cl)c(N)c1)N(C)c1ccccc1
InChIInChI=1S/C16H18ClN3O/c1-11(20(2)13-6-4-3-5-7-13)16(21)19-12-8-9-14(17)15(18)10-12/h3-11H,18H2,1-2H3,(H,19,21)
InChIKeyQWRRVEXNWWJYEF-UHFFFAOYSA-N
MW303.79 g/mol
LogP3.39
Rot. Bonds4

About N-(3-amino-4-chlorophenyl)-2-(N-methylanilino)propanamide

N-(3-amino-4-chlorophenyl)-2-(N-methylanilino)propanamide (PubChem CID 16779007) has the molecular formula C16H18ClN3O and a molecular weight of 303.79 g/mol. Its IUPAC name is N-(3-amino-4-chlorophenyl)-2-(N-methylanilino)propanamide.

Molecular Properties

Compound NameN-(3-amino-4-chlorophenyl)-2-(N-methylanilino)propanamide
PubChem CID16779007
Molecular FormulaC16H18ClN3O
Molecular Weight303.79 g/mol
Exact Mass303.11
IUPAC NameN-(3-amino-4-chlorophenyl)-2-(N-methylanilino)propanamide
SMILESCC(C(=O)Nc1ccc(Cl)c(N)c1)N(C)c1ccccc1
InChIInChI=1S/C16H18ClN3O/c1-11(20(2)13-6-4-3-5-7-13)16(21)19-12-8-9-14(17)15(18)10-12/h3-11H,18H2,1-2H3,(H,19,21)
InChIKeyQWRRVEXNWWJYEF-UHFFFAOYSA-N
XLogP3.39
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.79
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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N-(3-amino-4-chlorophenyl)-2-[(2-amino-2-oxoethyl)-methylamino]propanamide
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N-(3-amino-4-chlorophenyl)-2-(dimethylamino)-3-methylbutanamide
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2-(3-amino-N-methylanilino)-N-phenylpropanamide
CID 61297699
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3-(3-amino-4-chlorophenyl)-1,1-dimethylurea
CID 79154275
N-(3-amino-4-chlorophenyl)-2-[methyl-(2-methyloxolan-3-yl)amino]propanamide
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Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-chlorophenyl)-2-(N-methylanilino)propanamide?
The IUPAC name of N-(3-amino-4-chlorophenyl)-2-(N-methylanilino)propanamide (CID 16779007) is N-(3-amino-4-chlorophenyl)-2-(N-methylanilino)propanamide.
What is the SMILES notation for N-(3-amino-4-chlorophenyl)-2-(N-methylanilino)propanamide?
The canonical SMILES for N-(3-amino-4-chlorophenyl)-2-(N-methylanilino)propanamide is CC(C(=O)Nc1ccc(Cl)c(N)c1)N(C)c1ccccc1.
What is the InChIKey of N-(3-amino-4-chlorophenyl)-2-(N-methylanilino)propanamide?
The InChIKey is QWRRVEXNWWJYEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O/c1-11(20(2)13-6-4-3-5-7-13)16(21)19-12-8-9-14(17)15(18)10-12/h3-11H,18H2,1-2H3,(H,19,21).
What are the key properties of N-(3-amino-4-chlorophenyl)-2-(N-methylanilino)propanamide?
N-(3-amino-4-chlorophenyl)-2-(N-methylanilino)propanamide has a molecular weight of 303.79 g/mol, XLogP of 3.39, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-chlorophenyl)-2-(N-methylanilino)propanamide is sourced from PubChem (CID 16779007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).