N-(2-aminoethyl)-3-(cyclopropanecarbonylamino)benzamide;hydrochloride

C13H18ClN3O2 — CID 119384006

IUPACN-(2-aminoethyl)-3-(cyclopropanecarbonylamino)benzamide;hydrochloride
SMILESCl.NCCNC(=O)c1cccc(NC(=O)C2CC2)c1
InChIInChI=1S/C13H17N3O2.ClH/c14-6-7-15-12(17)10-2-1-3-11(8-10)16-13(18)9-4-5-9;/h1-3,8-9H,4-7,14H2,(H,15,17)(H,16,18);1H
InChIKeyCIBHOPRWKRUCKW-UHFFFAOYSA-N
MW283.76 g/mol
LogP1.15
Rot. Bonds5

About N-(2-aminoethyl)-3-(cyclopropanecarbonylamino)benzamide;hydrochloride

N-(2-aminoethyl)-3-(cyclopropanecarbonylamino)benzamide;hydrochloride (PubChem CID 119384006) has the molecular formula C13H18ClN3O2 and a molecular weight of 283.76 g/mol. Its IUPAC name is N-(2-aminoethyl)-3-(cyclopropanecarbonylamino)benzamide;hydrochloride.

Molecular Properties

Compound NameN-(2-aminoethyl)-3-(cyclopropanecarbonylamino)benzamide;hydrochloride
PubChem CID119384006
Molecular FormulaC13H18ClN3O2
Molecular Weight283.76 g/mol
Exact Mass283.11
IUPAC NameN-(2-aminoethyl)-3-(cyclopropanecarbonylamino)benzamide;hydrochloride
SMILESCl.NCCNC(=O)c1cccc(NC(=O)C2CC2)c1
InChIInChI=1S/C13H17N3O2.ClH/c14-6-7-15-12(17)10-2-1-3-11(8-10)16-13(18)9-4-5-9;/h1-3,8-9H,4-7,14H2,(H,15,17)(H,16,18);1H
InChIKeyCIBHOPRWKRUCKW-UHFFFAOYSA-N
XLogP1.15
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.76
LogP ≤ 51.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 17218956
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3-(cyclopropanecarbonylamino)-N-(3-piperazin-1-ylpropyl)benzamide;hydrochloride
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Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-3-(cyclopropanecarbonylamino)benzamide;hydrochloride?
The IUPAC name of N-(2-aminoethyl)-3-(cyclopropanecarbonylamino)benzamide;hydrochloride (CID 119384006) is N-(2-aminoethyl)-3-(cyclopropanecarbonylamino)benzamide;hydrochloride.
What is the SMILES notation for N-(2-aminoethyl)-3-(cyclopropanecarbonylamino)benzamide;hydrochloride?
The canonical SMILES for N-(2-aminoethyl)-3-(cyclopropanecarbonylamino)benzamide;hydrochloride is Cl.NCCNC(=O)c1cccc(NC(=O)C2CC2)c1.
What is the InChIKey of N-(2-aminoethyl)-3-(cyclopropanecarbonylamino)benzamide;hydrochloride?
The InChIKey is CIBHOPRWKRUCKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2.ClH/c14-6-7-15-12(17)10-2-1-3-11(8-10)16-13(18)9-4-5-9;/h1-3,8-9H,4-7,14H2,(H,15,17)(H,16,18);1H.
What are the key properties of N-(2-aminoethyl)-3-(cyclopropanecarbonylamino)benzamide;hydrochloride?
N-(2-aminoethyl)-3-(cyclopropanecarbonylamino)benzamide;hydrochloride has a molecular weight of 283.76 g/mol, XLogP of 1.15, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-3-(cyclopropanecarbonylamino)benzamide;hydrochloride is sourced from PubChem (CID 119384006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).