2-[(2-aminophenyl)methylamino]-4-chloro-N,N-dimethylbenzamide

C16H18ClN3O — CID 66419013

IUPAC2-[(2-aminophenyl)methylamino]-4-chloro-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(Cl)cc1NCc1ccccc1N
InChIInChI=1S/C16H18ClN3O/c1-20(2)16(21)13-8-7-12(17)9-15(13)19-10-11-5-3-4-6-14(11)18/h3-9,19H,10,18H2,1-2H3
InChIKeyDSHQFAUPWANGTC-UHFFFAOYSA-N
MW303.79 g/mol
LogP3.24
Rot. Bonds4

About 2-[(2-aminophenyl)methylamino]-4-chloro-N,N-dimethylbenzamide

2-[(2-aminophenyl)methylamino]-4-chloro-N,N-dimethylbenzamide (PubChem CID 66419013) has the molecular formula C16H18ClN3O and a molecular weight of 303.79 g/mol. Its IUPAC name is 2-[(2-aminophenyl)methylamino]-4-chloro-N,N-dimethylbenzamide.

Molecular Properties

Compound Name2-[(2-aminophenyl)methylamino]-4-chloro-N,N-dimethylbenzamide
PubChem CID66419013
Molecular FormulaC16H18ClN3O
Molecular Weight303.79 g/mol
Exact Mass303.11
IUPAC Name2-[(2-aminophenyl)methylamino]-4-chloro-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(Cl)cc1NCc1ccccc1N
InChIInChI=1S/C16H18ClN3O/c1-20(2)16(21)13-8-7-12(17)9-15(13)19-10-11-5-3-4-6-14(11)18/h3-9,19H,10,18H2,1-2H3
InChIKeyDSHQFAUPWANGTC-UHFFFAOYSA-N
XLogP3.24
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 ≤ 53.24
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

4-chloro-2-[(2-chlorophenyl)methylamino]-N,N-dimethylbenzamide
CID 43737609
2-[(5-bromofuran-2-yl)methylamino]-4-chloro-N,N-dimethylbenzamide
CID 43737640
4-chloro-N,N-dimethyl-2-(1,3-thiazol-5-ylmethylamino)benzamide
CID 62758513
4-chloro-N,N-dimethyl-2-(thiadiazol-4-ylmethylamino)benzamide
CID 43737681
2-[(2-fluorophenyl)methylamino]-N,N-dimethylbenzamide
CID 43432309
N-[(2-aminophenyl)methyl]-5-chloro-2-nitroaniline
CID 66386269
4-chloro-2-(2,2-dimethoxyethylamino)-N,N-dimethylbenzamide
CID 55234275
N-[(2-aminophenyl)methyl]-2-bromo-4-chloroaniline
CID 81262192
2-[(3-chloro-2-hydroxyphenyl)methylamino]-N,N-dimethylbenzamide
CID 115951452
2-[(2-aminophenyl)methyl-methylamino]-4-chlorobenzamide
CID 63083482
4-chloro-2-[(2-ethylpyrazol-3-yl)methylamino]-N,N-dimethylbenzamide
CID 114555357
4-chloro-2-[(2-chloroacetyl)amino]-N,N-dimethylbenzamide
CID 43695965

Frequently Asked Questions

What is the IUPAC name of 2-[(2-aminophenyl)methylamino]-4-chloro-N,N-dimethylbenzamide?
The IUPAC name of 2-[(2-aminophenyl)methylamino]-4-chloro-N,N-dimethylbenzamide (CID 66419013) is 2-[(2-aminophenyl)methylamino]-4-chloro-N,N-dimethylbenzamide.
What is the SMILES notation for 2-[(2-aminophenyl)methylamino]-4-chloro-N,N-dimethylbenzamide?
The canonical SMILES for 2-[(2-aminophenyl)methylamino]-4-chloro-N,N-dimethylbenzamide is CN(C)C(=O)c1ccc(Cl)cc1NCc1ccccc1N.
What is the InChIKey of 2-[(2-aminophenyl)methylamino]-4-chloro-N,N-dimethylbenzamide?
The InChIKey is DSHQFAUPWANGTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O/c1-20(2)16(21)13-8-7-12(17)9-15(13)19-10-11-5-3-4-6-14(11)18/h3-9,19H,10,18H2,1-2H3.
What are the key properties of 2-[(2-aminophenyl)methylamino]-4-chloro-N,N-dimethylbenzamide?
2-[(2-aminophenyl)methylamino]-4-chloro-N,N-dimethylbenzamide has a molecular weight of 303.79 g/mol, XLogP of 3.24, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-aminophenyl)methylamino]-4-chloro-N,N-dimethylbenzamide is sourced from PubChem (CID 66419013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).