N-(2-amino-1-cyclopropylethyl)-4-chloro-3-(2-oxoimidazolidin-1-yl)benzamide;hydrochloride

C15H20Cl2N4O2 — CID 119615884

IUPACN-(2-amino-1-cyclopropylethyl)-4-chloro-3-(2-oxoimidazolidin-1-yl)benzamide;hydrochloride
SMILESCl.NCC(NC(=O)c1ccc(Cl)c(N2CCNC2=O)c1)C1CC1
InChIInChI=1S/C15H19ClN4O2.ClH/c16-11-4-3-10(7-13(11)20-6-5-18-15(20)22)14(21)19-12(8-17)9-1-2-9;/h3-4,7,9,12H,1-2,5-6,8,17H2,(H,18,22)(H,19,21);1H
InChIKeyPGYQTROBFLOPQR-UHFFFAOYSA-N
MW359.26 g/mol
LogP1.76
Rot. Bonds5

About N-(2-amino-1-cyclopropylethyl)-4-chloro-3-(2-oxoimidazolidin-1-yl)benzamide;hydrochloride

N-(2-amino-1-cyclopropylethyl)-4-chloro-3-(2-oxoimidazolidin-1-yl)benzamide;hydrochloride (PubChem CID 119615884) has the molecular formula C15H20Cl2N4O2 and a molecular weight of 359.26 g/mol. Its IUPAC name is N-(2-amino-1-cyclopropylethyl)-4-chloro-3-(2-oxoimidazolidin-1-yl)benzamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-1-cyclopropylethyl)-4-chloro-3-(2-oxoimidazolidin-1-yl)benzamide;hydrochloride
PubChem CID119615884
Molecular FormulaC15H20Cl2N4O2
Molecular Weight359.26 g/mol
Exact Mass358.10
IUPAC NameN-(2-amino-1-cyclopropylethyl)-4-chloro-3-(2-oxoimidazolidin-1-yl)benzamide;hydrochloride
SMILESCl.NCC(NC(=O)c1ccc(Cl)c(N2CCNC2=O)c1)C1CC1
InChIInChI=1S/C15H19ClN4O2.ClH/c16-11-4-3-10(7-13(11)20-6-5-18-15(20)22)14(21)19-12(8-17)9-1-2-9;/h3-4,7,9,12H,1-2,5-6,8,17H2,(H,18,22)(H,19,21);1H
InChIKeyPGYQTROBFLOPQR-UHFFFAOYSA-N
XLogP1.76
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.26
LogP ≤ 51.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S)-1-aminopropan-2-yl]-4-chloro-3-(2-oxoimidazolidin-1-yl)benzamide
CID 120505177
N-(1-amino-2-cyclopropylpropan-2-yl)-4-chloro-3-(2-oxoimidazolidin-1-yl)benzamide;hydrochloride
CID 119574562
2-[[4-chloro-3-(2-oxoimidazolidin-1-yl)benzoyl]amino]butanoic acid
CID 119224117
N-(2-amino-1-cyclopropylethyl)-3-bromo-4-chlorobenzamide
CID 114024784
2-[[4-chloro-3-(2-oxoimidazolidin-1-yl)benzoyl]amino]-2-(oxan-3-yl)acetic acid
CID 120547529
N-(1-amino-2,4-dimethylpentan-2-yl)-4-chloro-3-(2-oxoimidazolidin-1-yl)benzamide
CID 119599252
N-(2-amino-1-cyclohexylethyl)-3,4-dichlorobenzamide
CID 81486899
4-chloro-3-(2-oxoimidazolidin-1-yl)-N-piperidin-3-ylbenzamide
CID 119427326
2-[[4-chloro-3-(2-oxoimidazolidin-1-yl)benzoyl]-cyclopropylamino]acetic acid
CID 119195439
1-[5-[4-(3-aminopropoxy)piperidine-1-carbonyl]-2-chlorophenyl]imidazolidin-2-one;hydrochloride
CID 119663507
4-[[4-chloro-3-(2-oxoimidazolidin-1-yl)benzoyl]amino]-4-methylpentanoic acid
CID 119204560
N-(2-amino-1-cyclopropylethyl)naphthalene-2-carboxamide
CID 65189109

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclopropylethyl)-4-chloro-3-(2-oxoimidazolidin-1-yl)benzamide;hydrochloride?
The IUPAC name of N-(2-amino-1-cyclopropylethyl)-4-chloro-3-(2-oxoimidazolidin-1-yl)benzamide;hydrochloride (CID 119615884) is N-(2-amino-1-cyclopropylethyl)-4-chloro-3-(2-oxoimidazolidin-1-yl)benzamide;hydrochloride.
What is the SMILES notation for N-(2-amino-1-cyclopropylethyl)-4-chloro-3-(2-oxoimidazolidin-1-yl)benzamide;hydrochloride?
The canonical SMILES for N-(2-amino-1-cyclopropylethyl)-4-chloro-3-(2-oxoimidazolidin-1-yl)benzamide;hydrochloride is Cl.NCC(NC(=O)c1ccc(Cl)c(N2CCNC2=O)c1)C1CC1.
What is the InChIKey of N-(2-amino-1-cyclopropylethyl)-4-chloro-3-(2-oxoimidazolidin-1-yl)benzamide;hydrochloride?
The InChIKey is PGYQTROBFLOPQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN4O2.ClH/c16-11-4-3-10(7-13(11)20-6-5-18-15(20)22)14(21)19-12(8-17)9-1-2-9;/h3-4,7,9,12H,1-2,5-6,8,17H2,(H,18,22)(H,19,21);1H.
What are the key properties of N-(2-amino-1-cyclopropylethyl)-4-chloro-3-(2-oxoimidazolidin-1-yl)benzamide;hydrochloride?
N-(2-amino-1-cyclopropylethyl)-4-chloro-3-(2-oxoimidazolidin-1-yl)benzamide;hydrochloride has a molecular weight of 359.26 g/mol, XLogP of 1.76, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclopropylethyl)-4-chloro-3-(2-oxoimidazolidin-1-yl)benzamide;hydrochloride is sourced from PubChem (CID 119615884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).