4-[[2-(cyclopropylmethylamino)acetyl]amino]benzamide;hydrochloride

C13H18ClN3O2 — CID 119672411

IUPAC4-[[2-(cyclopropylmethylamino)acetyl]amino]benzamide;hydrochloride
SMILESCl.NC(=O)c1ccc(NC(=O)CNCC2CC2)cc1
InChIInChI=1S/C13H17N3O2.ClH/c14-13(18)10-3-5-11(6-4-10)16-12(17)8-15-7-9-1-2-9;/h3-6,9,15H,1-2,7-8H2,(H2,14,18)(H,16,17);1H
InChIKeyXZSPXYOXWDKGML-UHFFFAOYSA-N
MW283.76 g/mol
LogP1.15
Rot. Bonds6

About 4-[[2-(cyclopropylmethylamino)acetyl]amino]benzamide;hydrochloride

4-[[2-(cyclopropylmethylamino)acetyl]amino]benzamide;hydrochloride (PubChem CID 119672411) has the molecular formula C13H18ClN3O2 and a molecular weight of 283.76 g/mol. Its IUPAC name is 4-[[2-(cyclopropylmethylamino)acetyl]amino]benzamide;hydrochloride.

Molecular Properties

Compound Name4-[[2-(cyclopropylmethylamino)acetyl]amino]benzamide;hydrochloride
PubChem CID119672411
Molecular FormulaC13H18ClN3O2
Molecular Weight283.76 g/mol
Exact Mass283.11
IUPAC Name4-[[2-(cyclopropylmethylamino)acetyl]amino]benzamide;hydrochloride
SMILESCl.NC(=O)c1ccc(NC(=O)CNCC2CC2)cc1
InChIInChI=1S/C13H17N3O2.ClH/c14-13(18)10-3-5-11(6-4-10)16-12(17)8-15-7-9-1-2-9;/h3-6,9,15H,1-2,7-8H2,(H2,14,18)(H,16,17);1H
InChIKeyXZSPXYOXWDKGML-UHFFFAOYSA-N
XLogP1.15
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
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

2-(cyclopropylmethylamino)-N-(4-methylphenyl)acetamide
CID 28566911
4-[[2-(cyclopropylmethylamino)acetyl]amino]-N-methylbenzamide
CID 60868348
N-[4-[[2-(cyclopropylmethylamino)acetyl]amino]phenyl]cyclopropanecarboxamide;hydrochloride
CID 119700150
methyl N-[4-[[2-(cyclopropylmethylamino)acetyl]amino]phenyl]carbamate
CID 60866405
2-(cyclopropylmethylamino)-N-(4-methylsulfanylphenyl)acetamide;hydrochloride
CID 119694268
2-(cyclopropylmethylamino)-N-[4-(sulfamoylmethyl)phenyl]acetamide;hydrochloride
CID 119701886
2-(cyclopropylmethylamino)-N-(3,4-dimethylphenyl)acetamide;hydrochloride
CID 119670640
N-[4-[(4-chlorophenyl)carbamoylamino]phenyl]-2-(cyclopropylmethylamino)acetamide
CID 119752578
2-(cyclopropylmethylamino)-N-[4-(tetrazol-1-yl)phenyl]acetamide
CID 61261084
2-(cyclopropylmethylamino)-N-[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]acetamide;hydrochloride
CID 119744228
N-cyclohexyl-4-[[2-(cyclopropylmethylamino)acetyl]amino]-N-methylbenzamide;hydrochloride
CID 119743408
N-(4-bromophenyl)-2-[(4-hydroxycyclohexyl)methylamino]acetamide
CID 106133833

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(cyclopropylmethylamino)acetyl]amino]benzamide;hydrochloride?
The IUPAC name of 4-[[2-(cyclopropylmethylamino)acetyl]amino]benzamide;hydrochloride (CID 119672411) is 4-[[2-(cyclopropylmethylamino)acetyl]amino]benzamide;hydrochloride.
What is the SMILES notation for 4-[[2-(cyclopropylmethylamino)acetyl]amino]benzamide;hydrochloride?
The canonical SMILES for 4-[[2-(cyclopropylmethylamino)acetyl]amino]benzamide;hydrochloride is Cl.NC(=O)c1ccc(NC(=O)CNCC2CC2)cc1.
What is the InChIKey of 4-[[2-(cyclopropylmethylamino)acetyl]amino]benzamide;hydrochloride?
The InChIKey is XZSPXYOXWDKGML-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2.ClH/c14-13(18)10-3-5-11(6-4-10)16-12(17)8-15-7-9-1-2-9;/h3-6,9,15H,1-2,7-8H2,(H2,14,18)(H,16,17);1H.
What are the key properties of 4-[[2-(cyclopropylmethylamino)acetyl]amino]benzamide;hydrochloride?
4-[[2-(cyclopropylmethylamino)acetyl]amino]benzamide;hydrochloride has a molecular weight of 283.76 g/mol, XLogP of 1.15, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(cyclopropylmethylamino)acetyl]amino]benzamide;hydrochloride is sourced from PubChem (CID 119672411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).