2-chloro-N-[2-(ethylaminomethyl)phenyl]-5-(2-oxoimidazolidin-1-yl)benzamide;hydrochloride

C19H22Cl2N4O2 — CID 119440919

IUPAC2-chloro-N-[2-(ethylaminomethyl)phenyl]-5-(2-oxoimidazolidin-1-yl)benzamide;hydrochloride
SMILESCCNCc1ccccc1NC(=O)c1cc(N2CCNC2=O)ccc1Cl.Cl
InChIInChI=1S/C19H21ClN4O2.ClH/c1-2-21-12-13-5-3-4-6-17(13)23-18(25)15-11-14(7-8-16(15)20)24-10-9-22-19(24)26;/h3-8,11,21H,2,9-10,12H2,1H3,(H,22,26)(H,23,25);1H
InChIKeyQPQSUJWYLXLVAA-UHFFFAOYSA-N
MW409.32 g/mol
LogP3.65
Rot. Bonds6

About 2-chloro-N-[2-(ethylaminomethyl)phenyl]-5-(2-oxoimidazolidin-1-yl)benzamide;hydrochloride

2-chloro-N-[2-(ethylaminomethyl)phenyl]-5-(2-oxoimidazolidin-1-yl)benzamide;hydrochloride (PubChem CID 119440919) has the molecular formula C19H22Cl2N4O2 and a molecular weight of 409.32 g/mol. Its IUPAC name is 2-chloro-N-[2-(ethylaminomethyl)phenyl]-5-(2-oxoimidazolidin-1-yl)benzamide;hydrochloride.

Molecular Properties

Compound Name2-chloro-N-[2-(ethylaminomethyl)phenyl]-5-(2-oxoimidazolidin-1-yl)benzamide;hydrochloride
PubChem CID119440919
Molecular FormulaC19H22Cl2N4O2
Molecular Weight409.32 g/mol
Exact Mass408.11
IUPAC Name2-chloro-N-[2-(ethylaminomethyl)phenyl]-5-(2-oxoimidazolidin-1-yl)benzamide;hydrochloride
SMILESCCNCc1ccccc1NC(=O)c1cc(N2CCNC2=O)ccc1Cl.Cl
InChIInChI=1S/C19H21ClN4O2.ClH/c1-2-21-12-13-5-3-4-6-17(13)23-18(25)15-11-14(7-8-16(15)20)24-10-9-22-19(24)26;/h3-8,11,21H,2,9-10,12H2,1H3,(H,22,26)(H,23,25);1H
InChIKeyQPQSUJWYLXLVAA-UHFFFAOYSA-N
XLogP3.65
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.32
LogP ≤ 53.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-[2-(methylamino)ethyl]-5-(2-oxoimidazolidin-1-yl)benzamide
CID 119504449
(2R)-2-[[2-chloro-5-(2-oxoimidazolidin-1-yl)benzoyl]amino]propanoic acid
CID 119244300
(2S)-2-[[2-chloro-5-(2-oxoimidazolidin-1-yl)benzoyl]amino]-2-phenylacetic acid
CID 119372405
(2R)-2-[[2-chloro-5-(2-oxoimidazolidin-1-yl)benzoyl]amino]-2-phenylacetic acid
CID 119367709
(2S)-2-[[2-chloro-5-(2-oxoimidazolidin-1-yl)benzoyl]amino]-3-methylbutanoic acid
CID 119359827
1-(3-chlorophenyl)-N-[2-(ethylaminomethyl)phenyl]-2-oxopyrrolidine-3-carboxamide;hydrochloride
CID 119439813
3,5-dichloro-N-[2-(ethylaminomethyl)phenyl]benzamide
CID 43601335
N-[2-(ethylaminomethyl)phenyl]-3-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide;hydrochloride
CID 119440340
2-[[[2-chloro-5-(2-oxoimidazolidin-1-yl)benzoyl]amino]methyl]-4-methylpentanoic acid
CID 119253358
1-[4-chloro-3-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]phenyl]imidazolidin-2-one;hydrochloride
CID 119542484
N-(2-methylphenyl)-4-(2-oxoimidazolidin-1-yl)benzamide
CID 46687823
4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[2-(ethylaminomethyl)phenyl]-2-methylbenzamide
CID 119440347

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(ethylaminomethyl)phenyl]-5-(2-oxoimidazolidin-1-yl)benzamide;hydrochloride?
The IUPAC name of 2-chloro-N-[2-(ethylaminomethyl)phenyl]-5-(2-oxoimidazolidin-1-yl)benzamide;hydrochloride (CID 119440919) is 2-chloro-N-[2-(ethylaminomethyl)phenyl]-5-(2-oxoimidazolidin-1-yl)benzamide;hydrochloride.
What is the SMILES notation for 2-chloro-N-[2-(ethylaminomethyl)phenyl]-5-(2-oxoimidazolidin-1-yl)benzamide;hydrochloride?
The canonical SMILES for 2-chloro-N-[2-(ethylaminomethyl)phenyl]-5-(2-oxoimidazolidin-1-yl)benzamide;hydrochloride is CCNCc1ccccc1NC(=O)c1cc(N2CCNC2=O)ccc1Cl.Cl.
What is the InChIKey of 2-chloro-N-[2-(ethylaminomethyl)phenyl]-5-(2-oxoimidazolidin-1-yl)benzamide;hydrochloride?
The InChIKey is QPQSUJWYLXLVAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN4O2.ClH/c1-2-21-12-13-5-3-4-6-17(13)23-18(25)15-11-14(7-8-16(15)20)24-10-9-22-19(24)26;/h3-8,11,21H,2,9-10,12H2,1H3,(H,22,26)(H,23,25);1H.
What are the key properties of 2-chloro-N-[2-(ethylaminomethyl)phenyl]-5-(2-oxoimidazolidin-1-yl)benzamide;hydrochloride?
2-chloro-N-[2-(ethylaminomethyl)phenyl]-5-(2-oxoimidazolidin-1-yl)benzamide;hydrochloride has a molecular weight of 409.32 g/mol, XLogP of 3.65, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-(ethylaminomethyl)phenyl]-5-(2-oxoimidazolidin-1-yl)benzamide;hydrochloride is sourced from PubChem (CID 119440919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).