2-chloro-5-(methylcarbamoylamino)-N-[2-(2-oxoimidazolidin-1-yl)ethyl]benzamide

C14H18ClN5O3 — CID 155962081

IUPAC2-chloro-5-(methylcarbamoylamino)-N-[2-(2-oxoimidazolidin-1-yl)ethyl]benzamide
SMILESCNC(=O)Nc1ccc(Cl)c(C(=O)NCCN2CCNC2=O)c1
InChIInChI=1S/C14H18ClN5O3/c1-16-13(22)19-9-2-3-11(15)10(8-9)12(21)17-4-6-20-7-5-18-14(20)23/h2-3,8H,4-7H2,1H3,(H,17,21)(H,18,23)(H2,16,19,22)
InChIKeySAZUGTRZOLACIV-UHFFFAOYSA-N
MW339.78 g/mol
LogP0.85
Rot. Bonds5

About 2-chloro-5-(methylcarbamoylamino)-N-[2-(2-oxoimidazolidin-1-yl)ethyl]benzamide

2-chloro-5-(methylcarbamoylamino)-N-[2-(2-oxoimidazolidin-1-yl)ethyl]benzamide (PubChem CID 155962081) has the molecular formula C14H18ClN5O3 and a molecular weight of 339.78 g/mol. Its IUPAC name is 2-chloro-5-(methylcarbamoylamino)-N-[2-(2-oxoimidazolidin-1-yl)ethyl]benzamide.

Molecular Properties

Compound Name2-chloro-5-(methylcarbamoylamino)-N-[2-(2-oxoimidazolidin-1-yl)ethyl]benzamide
PubChem CID155962081
Molecular FormulaC14H18ClN5O3
Molecular Weight339.78 g/mol
Exact Mass339.11
IUPAC Name2-chloro-5-(methylcarbamoylamino)-N-[2-(2-oxoimidazolidin-1-yl)ethyl]benzamide
SMILESCNC(=O)Nc1ccc(Cl)c(C(=O)NCCN2CCNC2=O)c1
InChIInChI=1S/C14H18ClN5O3/c1-16-13(22)19-9-2-3-11(15)10(8-9)12(21)17-4-6-20-7-5-18-14(20)23/h2-3,8H,4-7H2,1H3,(H,17,21)(H,18,23)(H2,16,19,22)
InChIKeySAZUGTRZOLACIV-UHFFFAOYSA-N
XLogP0.85
TPSA102.57 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.78
LogP ≤ 50.85
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-5-[[(1S,3S)-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-[2-(2-oxoimidazolidin-1-yl)ethyl]benzamide
CID 122622137
2-chloro-N-[2-(methylamino)ethyl]-5-(2-oxoimidazolidin-1-yl)benzamide
CID 119504449
1-[3-(methanesulfonamido)-4-methoxyphenyl]-3-[2-(2-oxoimidazolidin-1-yl)ethyl]urea
CID 118763815
1-(2-chloro-4-fluoro-5-methylphenyl)-3-[2-(2-oxoimidazolidin-1-yl)ethyl]urea
CID 118783630
2-chloro-N-propyl-5-[[(3R)-pyrrolidin-3-yl]carbamoylamino]benzamide
CID 74238360
N-[3-[2-(2-oxoimidazolidin-1-yl)ethylamino]phenyl]acetamide
CID 28579397
5-methyl-N-[2-(2-oxoimidazolidin-1-yl)ethyl]-1,2-oxazole-4-carboxamide
CID 90649554
1-[2-(2-oxoimidazolidin-1-yl)ethyl]-3-[3-(sulfamoylmethyl)phenyl]urea
CID 72931818
1-[2-(2-oxoimidazolidin-1-yl)ethyl]-3-[4-(propylsulfamoyl)phenyl]urea
CID 118780196
1-[3-(5-methyltetrazol-1-yl)phenyl]-3-[2-(2-oxoimidazolidin-1-yl)ethyl]urea
CID 72875346
N-[2-(2-oxoimidazolidin-1-yl)ethyl]-4-(pyrrolidin-1-ylmethyl)benzamide
CID 118795910
4-amino-3-methoxy-N-[2-(2-oxoimidazolidin-1-yl)ethyl]benzamide
CID 89186326

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(methylcarbamoylamino)-N-[2-(2-oxoimidazolidin-1-yl)ethyl]benzamide?
The IUPAC name of 2-chloro-5-(methylcarbamoylamino)-N-[2-(2-oxoimidazolidin-1-yl)ethyl]benzamide (CID 155962081) is 2-chloro-5-(methylcarbamoylamino)-N-[2-(2-oxoimidazolidin-1-yl)ethyl]benzamide.
What is the SMILES notation for 2-chloro-5-(methylcarbamoylamino)-N-[2-(2-oxoimidazolidin-1-yl)ethyl]benzamide?
The canonical SMILES for 2-chloro-5-(methylcarbamoylamino)-N-[2-(2-oxoimidazolidin-1-yl)ethyl]benzamide is CNC(=O)Nc1ccc(Cl)c(C(=O)NCCN2CCNC2=O)c1.
What is the InChIKey of 2-chloro-5-(methylcarbamoylamino)-N-[2-(2-oxoimidazolidin-1-yl)ethyl]benzamide?
The InChIKey is SAZUGTRZOLACIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN5O3/c1-16-13(22)19-9-2-3-11(15)10(8-9)12(21)17-4-6-20-7-5-18-14(20)23/h2-3,8H,4-7H2,1H3,(H,17,21)(H,18,23)(H2,16,19,22).
What are the key properties of 2-chloro-5-(methylcarbamoylamino)-N-[2-(2-oxoimidazolidin-1-yl)ethyl]benzamide?
2-chloro-5-(methylcarbamoylamino)-N-[2-(2-oxoimidazolidin-1-yl)ethyl]benzamide has a molecular weight of 339.78 g/mol, XLogP of 0.85, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(methylcarbamoylamino)-N-[2-(2-oxoimidazolidin-1-yl)ethyl]benzamide is sourced from PubChem (CID 155962081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).