N-[2-(4-aminophenyl)ethyl]-3-(cyclopropylcarbamoylamino)benzamide;hydrochloride

C19H23ClN4O2 — CID 119549671

IUPACN-[2-(4-aminophenyl)ethyl]-3-(cyclopropylcarbamoylamino)benzamide;hydrochloride
SMILESCl.Nc1ccc(CCNC(=O)c2cccc(NC(=O)NC3CC3)c2)cc1
InChIInChI=1S/C19H22N4O2.ClH/c20-15-6-4-13(5-7-15)10-11-21-18(24)14-2-1-3-17(12-14)23-19(25)22-16-8-9-16;/h1-7,12,16H,8-11,20H2,(H,21,24)(H2,22,23,25);1H
InChIKeyAUFSYTPERBYAPN-UHFFFAOYSA-N
MW374.87 g/mol
LogP2.95
Rot. Bonds6

About N-[2-(4-aminophenyl)ethyl]-3-(cyclopropylcarbamoylamino)benzamide;hydrochloride

N-[2-(4-aminophenyl)ethyl]-3-(cyclopropylcarbamoylamino)benzamide;hydrochloride (PubChem CID 119549671) has the molecular formula C19H23ClN4O2 and a molecular weight of 374.87 g/mol. Its IUPAC name is N-[2-(4-aminophenyl)ethyl]-3-(cyclopropylcarbamoylamino)benzamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(4-aminophenyl)ethyl]-3-(cyclopropylcarbamoylamino)benzamide;hydrochloride
PubChem CID119549671
Molecular FormulaC19H23ClN4O2
Molecular Weight374.87 g/mol
Exact Mass374.15
IUPAC NameN-[2-(4-aminophenyl)ethyl]-3-(cyclopropylcarbamoylamino)benzamide;hydrochloride
SMILESCl.Nc1ccc(CCNC(=O)c2cccc(NC(=O)NC3CC3)c2)cc1
InChIInChI=1S/C19H22N4O2.ClH/c20-15-6-4-13(5-7-15)10-11-21-18(24)14-2-1-3-17(12-14)23-19(25)22-16-8-9-16;/h1-7,12,16H,8-11,20H2,(H,21,24)(H2,22,23,25);1H
InChIKeyAUFSYTPERBYAPN-UHFFFAOYSA-N
XLogP2.95
TPSA96.25 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.87
LogP ≤ 52.95
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-[[(3S)-1,1-dioxothiolan-3-yl]carbamoylamino]-N-(2-phenylethyl)benzamide
CID 39337107
3-[[(3S)-1,1-dioxothiolan-3-yl]carbamoylamino]-N-[2-(4-fluorophenyl)ethyl]benzamide
CID 39352092
4-(cyclopropylcarbamoylamino)-N-(2-phenylethyl)benzamide
CID 39884786
3-(cyclopropylcarbamoylamino)-N-(2-methylpropyl)benzamide
CID 47298640
3-[[2-(4-aminophenyl)acetyl]amino]-N-cyclohexylbenzamide
CID 54795813
3-(cyclopropylcarbamoylamino)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 60527760
3-(cyclopropylcarbamoylamino)-N-[(1-hydroxycycloheptyl)methyl]benzamide
CID 167923901
N-cyclopropyl-3-[(4-methylphenyl)methylcarbamoylamino]benzamide
CID 47033154
N-cyclopropyl-3-[3-[4-(dimethylamino)phenyl]propylcarbamoylamino]benzamide
CID 86988079
1-(3-acetylphenyl)-3-cyclopropylurea
CID 47032116
N-(2-amino-1-cyclopropylethyl)-3-(cyclopropylcarbamoylamino)benzamide;hydrochloride
CID 119617687
3-(carbamoylamino)-N-[2-(4-methylphenyl)ethyl]benzamide
CID 134691241

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-aminophenyl)ethyl]-3-(cyclopropylcarbamoylamino)benzamide;hydrochloride?
The IUPAC name of N-[2-(4-aminophenyl)ethyl]-3-(cyclopropylcarbamoylamino)benzamide;hydrochloride (CID 119549671) is N-[2-(4-aminophenyl)ethyl]-3-(cyclopropylcarbamoylamino)benzamide;hydrochloride.
What is the SMILES notation for N-[2-(4-aminophenyl)ethyl]-3-(cyclopropylcarbamoylamino)benzamide;hydrochloride?
The canonical SMILES for N-[2-(4-aminophenyl)ethyl]-3-(cyclopropylcarbamoylamino)benzamide;hydrochloride is Cl.Nc1ccc(CCNC(=O)c2cccc(NC(=O)NC3CC3)c2)cc1.
What is the InChIKey of N-[2-(4-aminophenyl)ethyl]-3-(cyclopropylcarbamoylamino)benzamide;hydrochloride?
The InChIKey is AUFSYTPERBYAPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2.ClH/c20-15-6-4-13(5-7-15)10-11-21-18(24)14-2-1-3-17(12-14)23-19(25)22-16-8-9-16;/h1-7,12,16H,8-11,20H2,(H,21,24)(H2,22,23,25);1H.
What are the key properties of N-[2-(4-aminophenyl)ethyl]-3-(cyclopropylcarbamoylamino)benzamide;hydrochloride?
N-[2-(4-aminophenyl)ethyl]-3-(cyclopropylcarbamoylamino)benzamide;hydrochloride has a molecular weight of 374.87 g/mol, XLogP of 2.95, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-aminophenyl)ethyl]-3-(cyclopropylcarbamoylamino)benzamide;hydrochloride is sourced from PubChem (CID 119549671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).