N-(2-aminoethyl)-2-[[4-(2-oxopyrrolidin-1-yl)benzoyl]amino]benzamide;hydrochloride

C20H23ClN4O3 — CID 120604511

IUPACN-(2-aminoethyl)-2-[[4-(2-oxopyrrolidin-1-yl)benzoyl]amino]benzamide;hydrochloride
SMILESCl.NCCNC(=O)c1ccccc1NC(=O)c1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C20H22N4O3.ClH/c21-11-12-22-20(27)16-4-1-2-5-17(16)23-19(26)14-7-9-15(10-8-14)24-13-3-6-18(24)25;/h1-2,4-5,7-10H,3,6,11-13,21H2,(H,22,27)(H,23,26);1H
InChIKeySEJRROBIOHDPCR-UHFFFAOYSA-N
MW402.88 g/mol
LogP2.18
Rot. Bonds6

About N-(2-aminoethyl)-2-[[4-(2-oxopyrrolidin-1-yl)benzoyl]amino]benzamide;hydrochloride

N-(2-aminoethyl)-2-[[4-(2-oxopyrrolidin-1-yl)benzoyl]amino]benzamide;hydrochloride (PubChem CID 120604511) has the molecular formula C20H23ClN4O3 and a molecular weight of 402.88 g/mol. Its IUPAC name is N-(2-aminoethyl)-2-[[4-(2-oxopyrrolidin-1-yl)benzoyl]amino]benzamide;hydrochloride.

Molecular Properties

Compound NameN-(2-aminoethyl)-2-[[4-(2-oxopyrrolidin-1-yl)benzoyl]amino]benzamide;hydrochloride
PubChem CID120604511
Molecular FormulaC20H23ClN4O3
Molecular Weight402.88 g/mol
Exact Mass402.15
IUPAC NameN-(2-aminoethyl)-2-[[4-(2-oxopyrrolidin-1-yl)benzoyl]amino]benzamide;hydrochloride
SMILESCl.NCCNC(=O)c1ccccc1NC(=O)c1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C20H22N4O3.ClH/c21-11-12-22-20(27)16-4-1-2-5-17(16)23-19(26)14-7-9-15(10-8-14)24-13-3-6-18(24)25;/h1-2,4-5,7-10H,3,6,11-13,21H2,(H,22,27)(H,23,26);1H
InChIKeySEJRROBIOHDPCR-UHFFFAOYSA-N
XLogP2.18
TPSA104.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.88
LogP ≤ 52.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-aminoethyl)-2-[[3-(2-oxopyrrolidin-1-yl)benzoyl]amino]benzamide
CID 120604401
N-[2-(2-aminoethylcarbamoyl)phenyl]-2,3-dihydro-1H-indene-5-carboxamide
CID 120604023
N-(2-benzamidoethyl)-4-(2-oxopyrrolidin-1-yl)benzamide
CID 24659936
4-(2-oxopyrrolidin-1-yl)-N-[2-(trifluoromethyl)phenyl]benzamide
CID 93174619
N-(2-ethylphenyl)-4-(2-oxopyrrolidin-1-yl)benzamide
CID 7750845
2-fluoro-N'-[4-(2-oxopiperidin-1-yl)benzoyl]benzohydrazide
CID 31794745
N-[2-(2-aminoethylcarbamoyl)phenyl]-6-(azepan-1-yl)pyridine-3-carboxamide;dihydrochloride
CID 120603494
N-[2-[[4-(2-oxopyrrolidin-1-yl)phenyl]methylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 30833133
N-[2-(2-hydroxyphenyl)ethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 110619378
N-[2-[3-(methylamino)-3-oxopropyl]phenyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 131922083
2-[(4-piperidin-1-ylbenzoyl)amino]-N-propylbenzamide
CID 21367704
4-(2-oxopyrrolidin-1-yl)-N-[2-(pyrimidin-2-ylamino)ethyl]benzamide
CID 51081174

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-2-[[4-(2-oxopyrrolidin-1-yl)benzoyl]amino]benzamide;hydrochloride?
The IUPAC name of N-(2-aminoethyl)-2-[[4-(2-oxopyrrolidin-1-yl)benzoyl]amino]benzamide;hydrochloride (CID 120604511) is N-(2-aminoethyl)-2-[[4-(2-oxopyrrolidin-1-yl)benzoyl]amino]benzamide;hydrochloride.
What is the SMILES notation for N-(2-aminoethyl)-2-[[4-(2-oxopyrrolidin-1-yl)benzoyl]amino]benzamide;hydrochloride?
The canonical SMILES for N-(2-aminoethyl)-2-[[4-(2-oxopyrrolidin-1-yl)benzoyl]amino]benzamide;hydrochloride is Cl.NCCNC(=O)c1ccccc1NC(=O)c1ccc(N2CCCC2=O)cc1.
What is the InChIKey of N-(2-aminoethyl)-2-[[4-(2-oxopyrrolidin-1-yl)benzoyl]amino]benzamide;hydrochloride?
The InChIKey is SEJRROBIOHDPCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O3.ClH/c21-11-12-22-20(27)16-4-1-2-5-17(16)23-19(26)14-7-9-15(10-8-14)24-13-3-6-18(24)25;/h1-2,4-5,7-10H,3,6,11-13,21H2,(H,22,27)(H,23,26);1H.
What are the key properties of N-(2-aminoethyl)-2-[[4-(2-oxopyrrolidin-1-yl)benzoyl]amino]benzamide;hydrochloride?
N-(2-aminoethyl)-2-[[4-(2-oxopyrrolidin-1-yl)benzoyl]amino]benzamide;hydrochloride has a molecular weight of 402.88 g/mol, XLogP of 2.18, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-2-[[4-(2-oxopyrrolidin-1-yl)benzoyl]amino]benzamide;hydrochloride is sourced from PubChem (CID 120604511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).