2-[(5-amino-2-chlorophenyl)methyl-methylamino]-4-methylbenzamide

C16H18ClN3O — CID 62308693

IUPAC2-[(5-amino-2-chlorophenyl)methyl-methylamino]-4-methylbenzamide
SMILESCc1ccc(C(N)=O)c(N(C)Cc2cc(N)ccc2Cl)c1
InChIInChI=1S/C16H18ClN3O/c1-10-3-5-13(16(19)21)15(7-10)20(2)9-11-8-12(18)4-6-14(11)17/h3-8H,9,18H2,1-2H3,(H2,19,21)
InChIKeyGUHTUNJNPAGNMX-UHFFFAOYSA-N
MW303.79 g/mol
LogP2.97
Rot. Bonds4

About 2-[(5-amino-2-chlorophenyl)methyl-methylamino]-4-methylbenzamide

2-[(5-amino-2-chlorophenyl)methyl-methylamino]-4-methylbenzamide (PubChem CID 62308693) has the molecular formula C16H18ClN3O and a molecular weight of 303.79 g/mol. Its IUPAC name is 2-[(5-amino-2-chlorophenyl)methyl-methylamino]-4-methylbenzamide.

Molecular Properties

Compound Name2-[(5-amino-2-chlorophenyl)methyl-methylamino]-4-methylbenzamide
PubChem CID62308693
Molecular FormulaC16H18ClN3O
Molecular Weight303.79 g/mol
Exact Mass303.11
IUPAC Name2-[(5-amino-2-chlorophenyl)methyl-methylamino]-4-methylbenzamide
SMILESCc1ccc(C(N)=O)c(N(C)Cc2cc(N)ccc2Cl)c1
InChIInChI=1S/C16H18ClN3O/c1-10-3-5-13(16(19)21)15(7-10)20(2)9-11-8-12(18)4-6-14(11)17/h3-8H,9,18H2,1-2H3,(H2,19,21)
InChIKeyGUHTUNJNPAGNMX-UHFFFAOYSA-N
XLogP2.97
TPSA72.35 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 ≤ 52.97
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

2-[(5-amino-2-chlorophenyl)methyl-methylamino]-6-bromobenzamide
CID 114887499
2-[(2-aminophenyl)methyl-methylamino]-4-chlorobenzamide
CID 63083482
2-[(5-amino-2-chlorophenyl)methyl-(2-amino-2-oxoethyl)amino]acetamide
CID 55157213
4-methyl-2-[methyl-[(2-methylphenyl)methyl]amino]benzenecarbothioamide
CID 62301587
5-amino-2-[(5-chlorothiophen-2-yl)methyl-methylamino]benzamide
CID 61438183
4-amino-2-[(2-chloro-4-methylphenyl)methoxy]benzamide
CID 106955508
methyl N-[(5-amino-2-chlorophenyl)methyl]-N-methylcarbamate
CID 43551425
2-[(2-chloro-4-methylphenyl)methyl-methylamino]benzenecarbothioamide
CID 106863542
3-chloro-4-[(N,2,4-trimethylanilino)methyl]benzenecarbothioamide
CID 102666208
N-[(5-amino-2-chlorophenyl)methyl]-N,2,5-trimethylfuran-3-carboxamide
CID 43549722
4-amino-2-[methyl(2-thiophen-2-ylethyl)amino]benzamide
CID 79475551
5-amino-2-(2-chloro-4-methylphenoxy)benzamide
CID 62671488

Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-2-chlorophenyl)methyl-methylamino]-4-methylbenzamide?
The IUPAC name of 2-[(5-amino-2-chlorophenyl)methyl-methylamino]-4-methylbenzamide (CID 62308693) is 2-[(5-amino-2-chlorophenyl)methyl-methylamino]-4-methylbenzamide.
What is the SMILES notation for 2-[(5-amino-2-chlorophenyl)methyl-methylamino]-4-methylbenzamide?
The canonical SMILES for 2-[(5-amino-2-chlorophenyl)methyl-methylamino]-4-methylbenzamide is Cc1ccc(C(N)=O)c(N(C)Cc2cc(N)ccc2Cl)c1.
What is the InChIKey of 2-[(5-amino-2-chlorophenyl)methyl-methylamino]-4-methylbenzamide?
The InChIKey is GUHTUNJNPAGNMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O/c1-10-3-5-13(16(19)21)15(7-10)20(2)9-11-8-12(18)4-6-14(11)17/h3-8H,9,18H2,1-2H3,(H2,19,21).
What are the key properties of 2-[(5-amino-2-chlorophenyl)methyl-methylamino]-4-methylbenzamide?
2-[(5-amino-2-chlorophenyl)methyl-methylamino]-4-methylbenzamide has a molecular weight of 303.79 g/mol, XLogP of 2.97, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-amino-2-chlorophenyl)methyl-methylamino]-4-methylbenzamide is sourced from PubChem (CID 62308693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).