2-amino-3-chloro-N-[2-(dimethylamino)ethyl]-N-propylbenzamide

C14H22ClN3O — CID 115540587

IUPAC2-amino-3-chloro-N-[2-(dimethylamino)ethyl]-N-propylbenzamide
SMILESCCCN(CCN(C)C)C(=O)c1cccc(Cl)c1N
InChIInChI=1S/C14H22ClN3O/c1-4-8-18(10-9-17(2)3)14(19)11-6-5-7-12(15)13(11)16/h5-7H,4,8-10,16H2,1-3H3
InChIKeyAMAUWHZFNRXWNC-UHFFFAOYSA-N
MW283.80 g/mol
LogP2.34
Rot. Bonds6

About 2-amino-3-chloro-N-[2-(dimethylamino)ethyl]-N-propylbenzamide

2-amino-3-chloro-N-[2-(dimethylamino)ethyl]-N-propylbenzamide (PubChem CID 115540587) has the molecular formula C14H22ClN3O and a molecular weight of 283.80 g/mol. Its IUPAC name is 2-amino-3-chloro-N-[2-(dimethylamino)ethyl]-N-propylbenzamide.

Molecular Properties

Compound Name2-amino-3-chloro-N-[2-(dimethylamino)ethyl]-N-propylbenzamide
PubChem CID115540587
Molecular FormulaC14H22ClN3O
Molecular Weight283.80 g/mol
Exact Mass283.15
IUPAC Name2-amino-3-chloro-N-[2-(dimethylamino)ethyl]-N-propylbenzamide
SMILESCCCN(CCN(C)C)C(=O)c1cccc(Cl)c1N
InChIInChI=1S/C14H22ClN3O/c1-4-8-18(10-9-17(2)3)14(19)11-6-5-7-12(15)13(11)16/h5-7H,4,8-10,16H2,1-3H3
InChIKeyAMAUWHZFNRXWNC-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

2-amino-6-chloro-N-[2-(dimethylamino)ethyl]-N-propylbenzamide
CID 55244149
2-amino-3-chloro-N-[3-(diethylamino)propyl]-N-ethylbenzamide
CID 102990923
2-amino-3-chloro-N,N-dimethylbenzamide
CID 68799362
2-amino-N-[2-(dimethylamino)ethyl]-N-propylpyridine-3-carboxamide
CID 62161459
2-[(2-amino-3-chlorobenzoyl)-(carboxymethyl)amino]acetic acid
CID 82546684
3-[(2-chlorobenzoyl)-[2-(dimethylamino)ethyl]amino]propanoic acid
CID 82325321
2,3-dichloro-N-(2-chloroethyl)-N-propylbenzamide
CID 63393170
3-chloro-N-[2-(dimethylamino)ethyl]-N-propylpyridine-4-carboxamide
CID 66483955
6-amino-3-chloro-N-[2-(dimethylamino)ethyl]-N-propylpyridine-2-carboxamide
CID 62161613
2-amino-3-chloro-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 115540404
2-amino-N,N-dipropylbenzamide
CID 16769117
2-amino-3-chloro-N-pentyl-N-propan-2-ylbenzamide
CID 115540290

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-chloro-N-[2-(dimethylamino)ethyl]-N-propylbenzamide?
The IUPAC name of 2-amino-3-chloro-N-[2-(dimethylamino)ethyl]-N-propylbenzamide (CID 115540587) is 2-amino-3-chloro-N-[2-(dimethylamino)ethyl]-N-propylbenzamide.
What is the SMILES notation for 2-amino-3-chloro-N-[2-(dimethylamino)ethyl]-N-propylbenzamide?
The canonical SMILES for 2-amino-3-chloro-N-[2-(dimethylamino)ethyl]-N-propylbenzamide is CCCN(CCN(C)C)C(=O)c1cccc(Cl)c1N.
What is the InChIKey of 2-amino-3-chloro-N-[2-(dimethylamino)ethyl]-N-propylbenzamide?
The InChIKey is AMAUWHZFNRXWNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClN3O/c1-4-8-18(10-9-17(2)3)14(19)11-6-5-7-12(15)13(11)16/h5-7H,4,8-10,16H2,1-3H3.
What are the key properties of 2-amino-3-chloro-N-[2-(dimethylamino)ethyl]-N-propylbenzamide?
2-amino-3-chloro-N-[2-(dimethylamino)ethyl]-N-propylbenzamide 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 2-amino-3-chloro-N-[2-(dimethylamino)ethyl]-N-propylbenzamide is sourced from PubChem (CID 115540587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).