5-chloro-N-(cyclopropylmethyl)-2-(ethylamino)benzamide

C13H17ClN2O — CID 62173260

IUPAC5-chloro-N-(cyclopropylmethyl)-2-(ethylamino)benzamide
SMILESCCNc1ccc(Cl)cc1C(=O)NCC1CC1
InChIInChI=1S/C13H17ClN2O/c1-2-15-12-6-5-10(14)7-11(12)13(17)16-8-9-3-4-9/h5-7,9,15H,2-4,8H2,1H3,(H,16,17)
InChIKeyHSBGEMANGSBQAG-UHFFFAOYSA-N
MW252.74 g/mol
LogP2.91
Rot. Bonds5

About 5-chloro-N-(cyclopropylmethyl)-2-(ethylamino)benzamide

5-chloro-N-(cyclopropylmethyl)-2-(ethylamino)benzamide (PubChem CID 62173260) has the molecular formula C13H17ClN2O and a molecular weight of 252.74 g/mol. Its IUPAC name is 5-chloro-N-(cyclopropylmethyl)-2-(ethylamino)benzamide.

Molecular Properties

Compound Name5-chloro-N-(cyclopropylmethyl)-2-(ethylamino)benzamide
PubChem CID62173260
Molecular FormulaC13H17ClN2O
Molecular Weight252.74 g/mol
Exact Mass252.10
IUPAC Name5-chloro-N-(cyclopropylmethyl)-2-(ethylamino)benzamide
SMILESCCNc1ccc(Cl)cc1C(=O)NCC1CC1
InChIInChI=1S/C13H17ClN2O/c1-2-15-12-6-5-10(14)7-11(12)13(17)16-8-9-3-4-9/h5-7,9,15H,2-4,8H2,1H3,(H,16,17)
InChIKeyHSBGEMANGSBQAG-UHFFFAOYSA-N
XLogP2.91
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.74
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-chloro-N-(cyclohexylmethyl)-2-(ethylamino)benzamide
CID 63500418
5-chloro-2-(ethylamino)-N-(thiolan-3-ylmethyl)benzamide
CID 107298119
5-chloro-2-(ethylamino)-N-[(2-methylcyclohexyl)methyl]benzamide
CID 63500607
5-chloro-N-(1-cyclopropylpropan-2-yl)-2-(ethylamino)benzamide
CID 63995007
5-chloro-N-[2-[cyclopropyl(methyl)amino]ethyl]-2-(ethylamino)benzamide
CID 62978216
5-chloro-2-[[2-(cyclopropylmethylamino)acetyl]amino]-N-ethylbenzamide;hydrochloride
CID 119770124
2-(2-aminopentanoylamino)-5-chloro-N-(cyclopropylmethyl)benzamide
CID 119282987
5-chloro-N-(cyclobutylmethyl)-2-(methanesulfonamido)benzamide
CID 49194436
5-chloro-N-[2-[cyclopropyl(methyl)amino]propyl]-2-(ethylamino)benzamide
CID 103529934
ethyl (Z)-4-[4-chloro-2-(cyclopropylmethylcarbamoyl)anilino]-4-oxobut-2-enoate
CID 66921446
2-(ethylamino)-N-[(4-methylcyclohexyl)methyl]benzamide
CID 63244405
5-chloro-N-(cyclopropylmethyl)-2-[[2-(2-methoxyethylamino)acetyl]amino]benzamide
CID 119711773

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(cyclopropylmethyl)-2-(ethylamino)benzamide?
The IUPAC name of 5-chloro-N-(cyclopropylmethyl)-2-(ethylamino)benzamide (CID 62173260) is 5-chloro-N-(cyclopropylmethyl)-2-(ethylamino)benzamide.
What is the SMILES notation for 5-chloro-N-(cyclopropylmethyl)-2-(ethylamino)benzamide?
The canonical SMILES for 5-chloro-N-(cyclopropylmethyl)-2-(ethylamino)benzamide is CCNc1ccc(Cl)cc1C(=O)NCC1CC1.
What is the InChIKey of 5-chloro-N-(cyclopropylmethyl)-2-(ethylamino)benzamide?
The InChIKey is HSBGEMANGSBQAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O/c1-2-15-12-6-5-10(14)7-11(12)13(17)16-8-9-3-4-9/h5-7,9,15H,2-4,8H2,1H3,(H,16,17).
What are the key properties of 5-chloro-N-(cyclopropylmethyl)-2-(ethylamino)benzamide?
5-chloro-N-(cyclopropylmethyl)-2-(ethylamino)benzamide has a molecular weight of 252.74 g/mol, XLogP of 2.91, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(cyclopropylmethyl)-2-(ethylamino)benzamide is sourced from PubChem (CID 62173260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).