4-amino-2-chloro-N-[3-(diethylaminomethyl)phenyl]benzamide

C18H22ClN3O — CID 119852845

IUPAC4-amino-2-chloro-N-[3-(diethylaminomethyl)phenyl]benzamide
SMILESCCN(CC)Cc1cccc(NC(=O)c2ccc(N)cc2Cl)c1
InChIInChI=1S/C18H22ClN3O/c1-3-22(4-2)12-13-6-5-7-15(10-13)21-18(23)16-9-8-14(20)11-17(16)19/h5-11H,3-4,12,20H2,1-2H3,(H,21,23)
InChIKeyZDGVPSZUNLORCZ-UHFFFAOYSA-N
MW331.85 g/mol
LogP4.02
Rot. Bonds6

About 4-amino-2-chloro-N-[3-(diethylaminomethyl)phenyl]benzamide

4-amino-2-chloro-N-[3-(diethylaminomethyl)phenyl]benzamide (PubChem CID 119852845) has the molecular formula C18H22ClN3O and a molecular weight of 331.85 g/mol. Its IUPAC name is 4-amino-2-chloro-N-[3-(diethylaminomethyl)phenyl]benzamide.

Molecular Properties

Compound Name4-amino-2-chloro-N-[3-(diethylaminomethyl)phenyl]benzamide
PubChem CID119852845
Molecular FormulaC18H22ClN3O
Molecular Weight331.85 g/mol
Exact Mass331.15
IUPAC Name4-amino-2-chloro-N-[3-(diethylaminomethyl)phenyl]benzamide
SMILESCCN(CC)Cc1cccc(NC(=O)c2ccc(N)cc2Cl)c1
InChIInChI=1S/C18H22ClN3O/c1-3-22(4-2)12-13-6-5-7-15(10-13)21-18(23)16-9-8-14(20)11-17(16)19/h5-11H,3-4,12,20H2,1-2H3,(H,21,23)
InChIKeyZDGVPSZUNLORCZ-UHFFFAOYSA-N
XLogP4.02
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.85
LogP ≤ 54.02
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-amino-2-chloro-N-[3-(piperidin-1-ylmethyl)phenyl]benzamide;dihydrochloride
CID 119852975
N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-4-bromo-2-chlorobenzamide
CID 60511474
N-[3-(diethylaminomethyl)phenyl]-2-phenylbenzamide
CID 38755706
4-amino-2-chloro-N-[3-[(1S)-1-hydroxyethyl]phenyl]benzamide
CID 100803624
methyl 3-[(4-amino-2-chlorobenzoyl)amino]benzoate
CID 28748885
N-[3-(diethylaminomethyl)phenyl]-1,3-thiazole-4-carboxamide
CID 63050106
4-bromo-N-[3-(bromomethyl)phenyl]-2-chlorobenzamide
CID 114307309
N-(3-chlorophenyl)-4-(diethylaminomethyl)benzamide
CID 46435319
4-amino-2-chloro-N-[6-(diethylamino)-3-pyridinyl]benzamide
CID 119845916
(2S)-2-amino-N-[3-(diethylaminomethyl)phenyl]-3,3-dimethylbutanamide
CID 61177892
N-[3-(diethylaminomethyl)phenyl]-5-iodothiophene-3-carboxamide
CID 78949828
4-amino-N-benzyl-2-chloro-N-ethylbenzamide
CID 28748815

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-chloro-N-[3-(diethylaminomethyl)phenyl]benzamide?
The IUPAC name of 4-amino-2-chloro-N-[3-(diethylaminomethyl)phenyl]benzamide (CID 119852845) is 4-amino-2-chloro-N-[3-(diethylaminomethyl)phenyl]benzamide.
What is the SMILES notation for 4-amino-2-chloro-N-[3-(diethylaminomethyl)phenyl]benzamide?
The canonical SMILES for 4-amino-2-chloro-N-[3-(diethylaminomethyl)phenyl]benzamide is CCN(CC)Cc1cccc(NC(=O)c2ccc(N)cc2Cl)c1.
What is the InChIKey of 4-amino-2-chloro-N-[3-(diethylaminomethyl)phenyl]benzamide?
The InChIKey is ZDGVPSZUNLORCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN3O/c1-3-22(4-2)12-13-6-5-7-15(10-13)21-18(23)16-9-8-14(20)11-17(16)19/h5-11H,3-4,12,20H2,1-2H3,(H,21,23).
What are the key properties of 4-amino-2-chloro-N-[3-(diethylaminomethyl)phenyl]benzamide?
4-amino-2-chloro-N-[3-(diethylaminomethyl)phenyl]benzamide has a molecular weight of 331.85 g/mol, XLogP of 4.02, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-chloro-N-[3-(diethylaminomethyl)phenyl]benzamide is sourced from PubChem (CID 119852845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).