2-amino-N-[2-chloro-5-(cyclohexylcarbamoylamino)phenyl]acetamide

C15H21ClN4O2 — CID 39184480

IUPAC2-amino-N-[2-chloro-5-(cyclohexylcarbamoylamino)phenyl]acetamide
SMILESNCC(=O)Nc1cc(NC(=O)NC2CCCCC2)ccc1Cl
InChIInChI=1S/C15H21ClN4O2/c16-12-7-6-11(8-13(12)20-14(21)9-17)19-15(22)18-10-4-2-1-3-5-10/h6-8,10H,1-5,9,17H2,(H,20,21)(H2,18,19,22)
InChIKeyIYWBPYWPDODXSW-UHFFFAOYSA-N
MW324.81 g/mol
LogP2.69
Rot. Bonds4

About 2-amino-N-[2-chloro-5-(cyclohexylcarbamoylamino)phenyl]acetamide

2-amino-N-[2-chloro-5-(cyclohexylcarbamoylamino)phenyl]acetamide (PubChem CID 39184480) has the molecular formula C15H21ClN4O2 and a molecular weight of 324.81 g/mol. Its IUPAC name is 2-amino-N-[2-chloro-5-(cyclohexylcarbamoylamino)phenyl]acetamide.

Molecular Properties

Compound Name2-amino-N-[2-chloro-5-(cyclohexylcarbamoylamino)phenyl]acetamide
PubChem CID39184480
Molecular FormulaC15H21ClN4O2
Molecular Weight324.81 g/mol
Exact Mass324.14
IUPAC Name2-amino-N-[2-chloro-5-(cyclohexylcarbamoylamino)phenyl]acetamide
SMILESNCC(=O)Nc1cc(NC(=O)NC2CCCCC2)ccc1Cl
InChIInChI=1S/C15H21ClN4O2/c16-12-7-6-11(8-13(12)20-14(21)9-17)19-15(22)18-10-4-2-1-3-5-10/h6-8,10H,1-5,9,17H2,(H,20,21)(H2,18,19,22)
InChIKeyIYWBPYWPDODXSW-UHFFFAOYSA-N
XLogP2.69
TPSA96.25 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.81
LogP ≤ 52.69
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-amino-4-chlorophenyl)-3-cyclohexylurea
CID 16776834
1-[5-(3-aminoprop-1-ynyl)-2-chlorophenyl]-3-cyclohexylurea
CID 62908041
2-chloro-N-cyclohexyl-5-(cyclohexylcarbamoylamino)benzamide
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1-cyclopentyl-3-(2,5-dichlorophenyl)urea
CID 47192576
1-(3-chloro-4-methylphenyl)-3-cycloheptylurea
CID 73352041
1-cyclohexyl-3-[2,5-dichloro-4-(cyclohexylcarbamoylamino)phenyl]urea
CID 4253311
3-amino-N-[5-(cyclohexylcarbamoylamino)-2-methoxyphenyl]propanamide
CID 82034660
1-[3-(3-aminoprop-1-ynyl)-4-chlorophenyl]-3-cyclobutylurea
CID 116658808
1-(4-chlorophenyl)-3-cyclododecylurea
CID 19165021
5-[(2-aminoacetyl)amino]-2-chloro-N-cyclopropylbenzamide;hydrochloride
CID 119283832
4-[[2-chloro-5-(propanoylamino)phenyl]carbamoylamino]cyclohexane-1-carboxylic acid
CID 122076486
N-[3-[(2-aminoacetyl)amino]-4-chlorophenyl]-2-phenylacetamide
CID 39184468

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-chloro-5-(cyclohexylcarbamoylamino)phenyl]acetamide?
The IUPAC name of 2-amino-N-[2-chloro-5-(cyclohexylcarbamoylamino)phenyl]acetamide (CID 39184480) is 2-amino-N-[2-chloro-5-(cyclohexylcarbamoylamino)phenyl]acetamide.
What is the SMILES notation for 2-amino-N-[2-chloro-5-(cyclohexylcarbamoylamino)phenyl]acetamide?
The canonical SMILES for 2-amino-N-[2-chloro-5-(cyclohexylcarbamoylamino)phenyl]acetamide is NCC(=O)Nc1cc(NC(=O)NC2CCCCC2)ccc1Cl.
What is the InChIKey of 2-amino-N-[2-chloro-5-(cyclohexylcarbamoylamino)phenyl]acetamide?
The InChIKey is IYWBPYWPDODXSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN4O2/c16-12-7-6-11(8-13(12)20-14(21)9-17)19-15(22)18-10-4-2-1-3-5-10/h6-8,10H,1-5,9,17H2,(H,20,21)(H2,18,19,22).
What are the key properties of 2-amino-N-[2-chloro-5-(cyclohexylcarbamoylamino)phenyl]acetamide?
2-amino-N-[2-chloro-5-(cyclohexylcarbamoylamino)phenyl]acetamide has a molecular weight of 324.81 g/mol, XLogP of 2.69, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-chloro-5-(cyclohexylcarbamoylamino)phenyl]acetamide is sourced from PubChem (CID 39184480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).