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

C16H26ClN3O — CID 102990923

IUPAC2-amino-3-chloro-N-[3-(diethylamino)propyl]-N-ethylbenzamide
SMILESCCN(CC)CCCN(CC)C(=O)c1cccc(Cl)c1N
InChIInChI=1S/C16H26ClN3O/c1-4-19(5-2)11-8-12-20(6-3)16(21)13-9-7-10-14(17)15(13)18/h7,9-10H,4-6,8,11-12,18H2,1-3H3
InChIKeyMHJJDXPKYRZNGR-UHFFFAOYSA-N
MW311.86 g/mol
LogP3.12
Rot. Bonds8

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

2-amino-3-chloro-N-[3-(diethylamino)propyl]-N-ethylbenzamide (PubChem CID 102990923) has the molecular formula C16H26ClN3O and a molecular weight of 311.86 g/mol. Its IUPAC name is 2-amino-3-chloro-N-[3-(diethylamino)propyl]-N-ethylbenzamide.

Molecular Properties

Compound Name2-amino-3-chloro-N-[3-(diethylamino)propyl]-N-ethylbenzamide
PubChem CID102990923
Molecular FormulaC16H26ClN3O
Molecular Weight311.86 g/mol
Exact Mass311.18
IUPAC Name2-amino-3-chloro-N-[3-(diethylamino)propyl]-N-ethylbenzamide
SMILESCCN(CC)CCCN(CC)C(=O)c1cccc(Cl)c1N
InChIInChI=1S/C16H26ClN3O/c1-4-19(5-2)11-8-12-20(6-3)16(21)13-9-7-10-14(17)15(13)18/h7,9-10H,4-6,8,11-12,18H2,1-3H3
InChIKeyMHJJDXPKYRZNGR-UHFFFAOYSA-N
XLogP3.12
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.86
LogP ≤ 53.12
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

N-[3-(diethylamino)propyl]-N-ethyl-2,3-dihydroxybenzamide
CID 102993947
2-amino-3-chloro-N-[2-(dimethylamino)ethyl]-N-propylbenzamide
CID 115540587
N-butyl-2-chloro-N-ethylbenzamide
CID 2164666
4-chloro-N-[3-(diethylamino)propyl]-N-ethylpyridine-3-carboxamide
CID 102992707
3-bromo-N-[3-(diethylamino)propyl]-N-ethyl-2-methylbenzamide
CID 102993518
2-chloro-N-ethyl-N-(3-hydroxypropyl)benzamide
CID 115771499
2-amino-3-chloro-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 115540404
N-(2-bromoethyl)-2-chloro-N-ethylbenzamide
CID 80660841
2-[(2-amino-3-chlorobenzoyl)-(carboxymethyl)amino]acetic acid
CID 82546684
5-chloro-N-[3-(diethylamino)propyl]-N-ethyl-2-hydroxybenzamide
CID 102993943
2-amino-3-chloro-N,N-dimethylbenzamide
CID 68799362
5-amino-2-bromo-N-[3-(diethylamino)propyl]-N-ethylbenzamide
CID 102990935

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-chloro-N-[3-(diethylamino)propyl]-N-ethylbenzamide?
The IUPAC name of 2-amino-3-chloro-N-[3-(diethylamino)propyl]-N-ethylbenzamide (CID 102990923) is 2-amino-3-chloro-N-[3-(diethylamino)propyl]-N-ethylbenzamide.
What is the SMILES notation for 2-amino-3-chloro-N-[3-(diethylamino)propyl]-N-ethylbenzamide?
The canonical SMILES for 2-amino-3-chloro-N-[3-(diethylamino)propyl]-N-ethylbenzamide is CCN(CC)CCCN(CC)C(=O)c1cccc(Cl)c1N.
What is the InChIKey of 2-amino-3-chloro-N-[3-(diethylamino)propyl]-N-ethylbenzamide?
The InChIKey is MHJJDXPKYRZNGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26ClN3O/c1-4-19(5-2)11-8-12-20(6-3)16(21)13-9-7-10-14(17)15(13)18/h7,9-10H,4-6,8,11-12,18H2,1-3H3.
What are the key properties of 2-amino-3-chloro-N-[3-(diethylamino)propyl]-N-ethylbenzamide?
2-amino-3-chloro-N-[3-(diethylamino)propyl]-N-ethylbenzamide has a molecular weight of 311.86 g/mol, XLogP of 3.12, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-chloro-N-[3-(diethylamino)propyl]-N-ethylbenzamide is sourced from PubChem (CID 102990923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).