3-(carbamoylamino)-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride

C14H21ClN4O2 — CID 119534577

IUPAC3-(carbamoylamino)-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
SMILESCl.NC(=O)Nc1cccc(C(=O)NCCC2CCNC2)c1
InChIInChI=1S/C14H20N4O2.ClH/c15-14(20)18-12-3-1-2-11(8-12)13(19)17-7-5-10-4-6-16-9-10;/h1-3,8,10,16H,4-7,9H2,(H,17,19)(H3,15,18,20);1H
InChIKeyPIVRLAQRZXMYHY-UHFFFAOYSA-N
MW312.80 g/mol
LogP1.33
Rot. Bonds5

About 3-(carbamoylamino)-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride

3-(carbamoylamino)-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride (PubChem CID 119534577) has the molecular formula C14H21ClN4O2 and a molecular weight of 312.80 g/mol. Its IUPAC name is 3-(carbamoylamino)-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride.

Molecular Properties

Compound Name3-(carbamoylamino)-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
PubChem CID119534577
Molecular FormulaC14H21ClN4O2
Molecular Weight312.80 g/mol
Exact Mass312.14
IUPAC Name3-(carbamoylamino)-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
SMILESCl.NC(=O)Nc1cccc(C(=O)NCCC2CCNC2)c1
InChIInChI=1S/C14H20N4O2.ClH/c15-14(20)18-12-3-1-2-11(8-12)13(19)17-7-5-10-4-6-16-9-10;/h1-3,8,10,16H,4-7,9H2,(H,17,19)(H3,15,18,20);1H
InChIKeyPIVRLAQRZXMYHY-UHFFFAOYSA-N
XLogP1.33
TPSA96.25 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.80
LogP ≤ 51.33
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2-methylcyclopropanecarbonyl)amino]-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 119536660
3-methyl-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119536491
3-fluoro-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 63628909
3-(dimethylcarbamoylamino)-N-(2-piperidin-3-ylethyl)benzamide
CID 119558110
3,4-dimethyl-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119537772
3-(2-methoxyethylsulfamoyl)-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 119533516
3-iodo-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119555518
N-(2-benzamidoethyl)-3-(carbamoylamino)benzamide
CID 38205035
N-[3-(2-piperidin-3-ylethylcarbamoyl)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide;hydrochloride
CID 119556996
4-(cyclopropanecarbonylamino)-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119537668
3-chloro-N-(2-piperidin-3-ylethyl)benzamide
CID 63628186
1-N-methyl-3-N-(2-piperidin-3-ylethyl)benzene-1,3-dicarboxamide
CID 119559534

Frequently Asked Questions

What is the IUPAC name of 3-(carbamoylamino)-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride?
The IUPAC name of 3-(carbamoylamino)-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride (CID 119534577) is 3-(carbamoylamino)-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride.
What is the SMILES notation for 3-(carbamoylamino)-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride?
The canonical SMILES for 3-(carbamoylamino)-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride is Cl.NC(=O)Nc1cccc(C(=O)NCCC2CCNC2)c1.
What is the InChIKey of 3-(carbamoylamino)-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride?
The InChIKey is PIVRLAQRZXMYHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2.ClH/c15-14(20)18-12-3-1-2-11(8-12)13(19)17-7-5-10-4-6-16-9-10;/h1-3,8,10,16H,4-7,9H2,(H,17,19)(H3,15,18,20);1H.
What are the key properties of 3-(carbamoylamino)-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride?
3-(carbamoylamino)-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride has a molecular weight of 312.80 g/mol, XLogP of 1.33, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(carbamoylamino)-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride is sourced from PubChem (CID 119534577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).