4-amino-2-chloro-N-[3-(dimethylamino)propyl]-N-ethylbenzamide

C14H22ClN3O — CID 102990858

IUPAC4-amino-2-chloro-N-[3-(dimethylamino)propyl]-N-ethylbenzamide
SMILESCCN(CCCN(C)C)C(=O)c1ccc(N)cc1Cl
InChIInChI=1S/C14H22ClN3O/c1-4-18(9-5-8-17(2)3)14(19)12-7-6-11(16)10-13(12)15/h6-7,10H,4-5,8-9,16H2,1-3H3
InChIKeyWDZYLMFMOWHMOI-UHFFFAOYSA-N
MW283.80 g/mol
LogP2.34
Rot. Bonds6

About 4-amino-2-chloro-N-[3-(dimethylamino)propyl]-N-ethylbenzamide

4-amino-2-chloro-N-[3-(dimethylamino)propyl]-N-ethylbenzamide (PubChem CID 102990858) has the molecular formula C14H22ClN3O and a molecular weight of 283.80 g/mol. Its IUPAC name is 4-amino-2-chloro-N-[3-(dimethylamino)propyl]-N-ethylbenzamide.

Molecular Properties

Compound Name4-amino-2-chloro-N-[3-(dimethylamino)propyl]-N-ethylbenzamide
PubChem CID102990858
Molecular FormulaC14H22ClN3O
Molecular Weight283.80 g/mol
Exact Mass283.15
IUPAC Name4-amino-2-chloro-N-[3-(dimethylamino)propyl]-N-ethylbenzamide
SMILESCCN(CCCN(C)C)C(=O)c1ccc(N)cc1Cl
InChIInChI=1S/C14H22ClN3O/c1-4-18(9-5-8-17(2)3)14(19)12-7-6-11(16)10-13(12)15/h6-7,10H,4-5,8-9,16H2,1-3H3
InChIKeyWDZYLMFMOWHMOI-UHFFFAOYSA-N
XLogP2.34
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.80
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-benzyl-2-chloro-N-ethylbenzamide
CID 28748815
4-chloro-N-[3-(dimethylamino)propyl]-N-ethyl-6-methylpyridine-3-carboxamide
CID 102978950
4-amino-2-chloro-N-(2-cyanopropyl)-N-ethylbenzamide
CID 61110331
4-amino-2-chloro-N,N-bis(2-methylpropyl)benzamide
CID 43587105
4-amino-N,N-bis(2-amino-2-oxoethyl)-2-chlorobenzamide
CID 62921855
4-amino-N-butan-2-yl-2-chloro-N-methylbenzamide;hydrochloride
CID 119737738
5-amino-2-bromo-N-[3-(diethylamino)propyl]-N-ethylbenzamide
CID 102990935
5-amino-N-[3-chloro-4-(diethylcarbamoyl)phenyl]-2-methylbenzamide;hydrochloride
CID 120620961
5-amino-2-chloro-N,N-dipropylbenzamide
CID 16777206
N-butyl-2-chloro-N-ethylbenzamide
CID 2164666
4-amino-2-chloro-N-[2-(ethylamino)-2-oxoethyl]-N-methylbenzamide
CID 61115647
4-amino-2-chloro-N-[2-(dimethylamino)-2-oxoethyl]-N-(2-methoxyethyl)benzamide;hydrochloride
CID 119729851

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-chloro-N-[3-(dimethylamino)propyl]-N-ethylbenzamide?
The IUPAC name of 4-amino-2-chloro-N-[3-(dimethylamino)propyl]-N-ethylbenzamide (CID 102990858) is 4-amino-2-chloro-N-[3-(dimethylamino)propyl]-N-ethylbenzamide.
What is the SMILES notation for 4-amino-2-chloro-N-[3-(dimethylamino)propyl]-N-ethylbenzamide?
The canonical SMILES for 4-amino-2-chloro-N-[3-(dimethylamino)propyl]-N-ethylbenzamide is CCN(CCCN(C)C)C(=O)c1ccc(N)cc1Cl.
What is the InChIKey of 4-amino-2-chloro-N-[3-(dimethylamino)propyl]-N-ethylbenzamide?
The InChIKey is WDZYLMFMOWHMOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClN3O/c1-4-18(9-5-8-17(2)3)14(19)12-7-6-11(16)10-13(12)15/h6-7,10H,4-5,8-9,16H2,1-3H3.
What are the key properties of 4-amino-2-chloro-N-[3-(dimethylamino)propyl]-N-ethylbenzamide?
4-amino-2-chloro-N-[3-(dimethylamino)propyl]-N-ethylbenzamide has a molecular weight of 283.80 g/mol, XLogP of 2.34, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-chloro-N-[3-(dimethylamino)propyl]-N-ethylbenzamide is sourced from PubChem (CID 102990858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).