5-[(2-aminoacetyl)amino]-2-chloro-N-cyclopropylbenzamide;hydrochloride

C12H15Cl2N3O2 — CID 119283832

IUPAC5-[(2-aminoacetyl)amino]-2-chloro-N-cyclopropylbenzamide;hydrochloride
SMILESCl.NCC(=O)Nc1ccc(Cl)c(C(=O)NC2CC2)c1
InChIInChI=1S/C12H14ClN3O2.ClH/c13-10-4-3-8(15-11(17)6-14)5-9(10)12(18)16-7-1-2-7;/h3-5,7H,1-2,6,14H2,(H,15,17)(H,16,18);1H
InChIKeyOJJSEXVHCDIRNU-UHFFFAOYSA-N
MW304.18 g/mol
LogP1.55
Rot. Bonds4

About 5-[(2-aminoacetyl)amino]-2-chloro-N-cyclopropylbenzamide;hydrochloride

5-[(2-aminoacetyl)amino]-2-chloro-N-cyclopropylbenzamide;hydrochloride (PubChem CID 119283832) has the molecular formula C12H15Cl2N3O2 and a molecular weight of 304.18 g/mol. Its IUPAC name is 5-[(2-aminoacetyl)amino]-2-chloro-N-cyclopropylbenzamide;hydrochloride.

Molecular Properties

Compound Name5-[(2-aminoacetyl)amino]-2-chloro-N-cyclopropylbenzamide;hydrochloride
PubChem CID119283832
Molecular FormulaC12H15Cl2N3O2
Molecular Weight304.18 g/mol
Exact Mass303.05
IUPAC Name5-[(2-aminoacetyl)amino]-2-chloro-N-cyclopropylbenzamide;hydrochloride
SMILESCl.NCC(=O)Nc1ccc(Cl)c(C(=O)NC2CC2)c1
InChIInChI=1S/C12H14ClN3O2.ClH/c13-10-4-3-8(15-11(17)6-14)5-9(10)12(18)16-7-1-2-7;/h3-5,7H,1-2,6,14H2,(H,15,17)(H,16,18);1H
InChIKeyOJJSEXVHCDIRNU-UHFFFAOYSA-N
XLogP1.55
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.18
LogP ≤ 51.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 50875940
2-chloro-N-cyclopropyl-5-(3-phenylsulfanylpropanoylamino)benzamide
CID 87026412
5-[(2-amino-2-methylpentanoyl)amino]-2-chloro-N-cyclopropylbenzamide;hydrochloride
CID 119713294
5-[(2-aminoacetyl)amino]-2-chlorobenzoic acid
CID 43714080
2-chloro-5-(3,3-dimethylbutanoylamino)-N-piperidin-4-ylbenzamide;hydrochloride
CID 119390511
2-chloro-5-[3-(3-chlorophenyl)propanoylamino]-N-cyclopropylbenzamide
CID 87026452
2-chloro-N-cyclohexyl-5-[(2-piperidin-1-ylacetyl)amino]benzamide
CID 54815159
2-(aminomethyl)-N-[4-chloro-3-(cyclopropylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide
CID 119713279
2-chloro-N-cyclohexyl-5-(cyclohexylcarbamoylamino)benzamide
CID 17188470
2-chloro-N-cyclohexyl-5-[4-(methylamino)butanoylamino]benzamide
CID 119743114
2-chloro-N-cyclohexyl-5-(hexanoylamino)benzamide
CID 17188521
2-chloro-5-(3-methylbutanoylamino)-N-piperidin-4-ylbenzamide
CID 119386824

Frequently Asked Questions

What is the IUPAC name of 5-[(2-aminoacetyl)amino]-2-chloro-N-cyclopropylbenzamide;hydrochloride?
The IUPAC name of 5-[(2-aminoacetyl)amino]-2-chloro-N-cyclopropylbenzamide;hydrochloride (CID 119283832) is 5-[(2-aminoacetyl)amino]-2-chloro-N-cyclopropylbenzamide;hydrochloride.
What is the SMILES notation for 5-[(2-aminoacetyl)amino]-2-chloro-N-cyclopropylbenzamide;hydrochloride?
The canonical SMILES for 5-[(2-aminoacetyl)amino]-2-chloro-N-cyclopropylbenzamide;hydrochloride is Cl.NCC(=O)Nc1ccc(Cl)c(C(=O)NC2CC2)c1.
What is the InChIKey of 5-[(2-aminoacetyl)amino]-2-chloro-N-cyclopropylbenzamide;hydrochloride?
The InChIKey is OJJSEXVHCDIRNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3O2.ClH/c13-10-4-3-8(15-11(17)6-14)5-9(10)12(18)16-7-1-2-7;/h3-5,7H,1-2,6,14H2,(H,15,17)(H,16,18);1H.
What are the key properties of 5-[(2-aminoacetyl)amino]-2-chloro-N-cyclopropylbenzamide;hydrochloride?
5-[(2-aminoacetyl)amino]-2-chloro-N-cyclopropylbenzamide;hydrochloride has a molecular weight of 304.18 g/mol, XLogP of 1.55, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-aminoacetyl)amino]-2-chloro-N-cyclopropylbenzamide;hydrochloride is sourced from PubChem (CID 119283832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).