3-amino-4-chloro-N-(cyclopropylmethyl)-N-ethylbenzamide

C13H17ClN2O — CID 63955717

IUPAC3-amino-4-chloro-N-(cyclopropylmethyl)-N-ethylbenzamide
SMILESCCN(CC1CC1)C(=O)c1ccc(Cl)c(N)c1
InChIInChI=1S/C13H17ClN2O/c1-2-16(8-9-3-4-9)13(17)10-5-6-11(14)12(15)7-10/h5-7,9H,2-4,8,15H2,1H3
InChIKeyLBSHPAGOYWAHBT-UHFFFAOYSA-N
MW252.74 g/mol
LogP2.79
Rot. Bonds4

About 3-amino-4-chloro-N-(cyclopropylmethyl)-N-ethylbenzamide

3-amino-4-chloro-N-(cyclopropylmethyl)-N-ethylbenzamide (PubChem CID 63955717) has the molecular formula C13H17ClN2O and a molecular weight of 252.74 g/mol. Its IUPAC name is 3-amino-4-chloro-N-(cyclopropylmethyl)-N-ethylbenzamide.

Molecular Properties

Compound Name3-amino-4-chloro-N-(cyclopropylmethyl)-N-ethylbenzamide
PubChem CID63955717
Molecular FormulaC13H17ClN2O
Molecular Weight252.74 g/mol
Exact Mass252.10
IUPAC Name3-amino-4-chloro-N-(cyclopropylmethyl)-N-ethylbenzamide
SMILESCCN(CC1CC1)C(=O)c1ccc(Cl)c(N)c1
InChIInChI=1S/C13H17ClN2O/c1-2-16(8-9-3-4-9)13(17)10-5-6-11(14)12(15)7-10/h5-7,9H,2-4,8,15H2,1H3
InChIKeyLBSHPAGOYWAHBT-UHFFFAOYSA-N
XLogP2.79
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.74
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-amino-4-bromo-N-(cyclopropylmethyl)-N-ethylbenzamide
CID 63954686
4-amino-N-(cyclopropylmethyl)-N-ethyl-3-fluorobenzamide
CID 63956728
4-amino-N-(cyclopropylmethyl)-N-ethylbenzamide
CID 63956122
3-amino-4-chloro-N-ethyl-N-(2,2,2-trifluoroethyl)benzamide
CID 55006686
2-amino-N-(cyclopropylmethyl)-N-ethylpyridine-4-carboxamide
CID 63939345
3-chloro-N-(cyclopropylmethyl)-4-hydroxy-N-propylbenzamide
CID 60654225
3-chloro-N-ethyl-4-iodo-N-(piperidin-4-ylmethyl)benzamide
CID 103209649
4-chloro-N-(cyclopropylmethyl)-3-methylsulfonyl-N-propylbenzamide
CID 78785868
3-amino-4-chloro-N-(2-cyanopropyl)-N-ethylbenzamide
CID 54906116
N-(cyclobutylmethyl)-N-ethyl-3,4-dihydroxybenzamide
CID 107728572
3-amino-4-chloro-N-ethyl-N-[(3-methylphenyl)methyl]benzamide
CID 60939220
3-amino-4-chloro-N-(cyclopropylmethyl)benzamide
CID 16795062

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-chloro-N-(cyclopropylmethyl)-N-ethylbenzamide?
The IUPAC name of 3-amino-4-chloro-N-(cyclopropylmethyl)-N-ethylbenzamide (CID 63955717) is 3-amino-4-chloro-N-(cyclopropylmethyl)-N-ethylbenzamide.
What is the SMILES notation for 3-amino-4-chloro-N-(cyclopropylmethyl)-N-ethylbenzamide?
The canonical SMILES for 3-amino-4-chloro-N-(cyclopropylmethyl)-N-ethylbenzamide is CCN(CC1CC1)C(=O)c1ccc(Cl)c(N)c1.
What is the InChIKey of 3-amino-4-chloro-N-(cyclopropylmethyl)-N-ethylbenzamide?
The InChIKey is LBSHPAGOYWAHBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O/c1-2-16(8-9-3-4-9)13(17)10-5-6-11(14)12(15)7-10/h5-7,9H,2-4,8,15H2,1H3.
What are the key properties of 3-amino-4-chloro-N-(cyclopropylmethyl)-N-ethylbenzamide?
3-amino-4-chloro-N-(cyclopropylmethyl)-N-ethylbenzamide has a molecular weight of 252.74 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-chloro-N-(cyclopropylmethyl)-N-ethylbenzamide is sourced from PubChem (CID 63955717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).