2-chloro-4-[3-(2-ethylimidazol-1-yl)propylcarbamoylamino]benzamide

C16H20ClN5O2 — CID 118782102

IUPAC2-chloro-4-[3-(2-ethylimidazol-1-yl)propylcarbamoylamino]benzamide
SMILESCCc1nccn1CCCNC(=O)Nc1ccc(C(N)=O)c(Cl)c1
InChIInChI=1S/C16H20ClN5O2/c1-2-14-19-7-9-22(14)8-3-6-20-16(24)21-11-4-5-12(15(18)23)13(17)10-11/h4-5,7,9-10H,2-3,6,8H2,1H3,(H2,18,23)(H2,20,21,24)
InChIKeyHMMCMYADUPARKJ-UHFFFAOYSA-N
MW349.82 g/mol
LogP2.41
Rot. Bonds7

About 2-chloro-4-[3-(2-ethylimidazol-1-yl)propylcarbamoylamino]benzamide

2-chloro-4-[3-(2-ethylimidazol-1-yl)propylcarbamoylamino]benzamide (PubChem CID 118782102) has the molecular formula C16H20ClN5O2 and a molecular weight of 349.82 g/mol. Its IUPAC name is 2-chloro-4-[3-(2-ethylimidazol-1-yl)propylcarbamoylamino]benzamide.

Molecular Properties

Compound Name2-chloro-4-[3-(2-ethylimidazol-1-yl)propylcarbamoylamino]benzamide
PubChem CID118782102
Molecular FormulaC16H20ClN5O2
Molecular Weight349.82 g/mol
Exact Mass349.13
IUPAC Name2-chloro-4-[3-(2-ethylimidazol-1-yl)propylcarbamoylamino]benzamide
SMILESCCc1nccn1CCCNC(=O)Nc1ccc(C(N)=O)c(Cl)c1
InChIInChI=1S/C16H20ClN5O2/c1-2-14-19-7-9-22(14)8-3-6-20-16(24)21-11-4-5-12(15(18)23)13(17)10-11/h4-5,7,9-10H,2-3,6,8H2,1H3,(H2,18,23)(H2,20,21,24)
InChIKeyHMMCMYADUPARKJ-UHFFFAOYSA-N
XLogP2.41
TPSA102.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.82
LogP ≤ 52.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[3-(2-ethylimidazol-1-yl)propyl]-3-[4-(2-methylimidazol-1-yl)phenyl]urea
CID 118773217
1-[3-(2-ethylimidazol-1-yl)propyl]-3-[(2S)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]urea
CID 125179364
1-[3-(2-ethylimidazol-1-yl)propyl]-3-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)urea
CID 74239820
1-[3-(2-ethylimidazol-1-yl)propyl]-3-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]urea
CID 72924769
1-[2-(2-ethylimidazol-1-yl)ethyl]-3-(2-methyl-1,3-benzothiazol-6-yl)urea
CID 118777639
(3S)-1-[3-[(4-carbamoyl-3-chlorophenyl)carbamoylamino]propyl]piperidine-3-carboxamide
CID 97445320
N-(4-aminophenyl)-4-(2-ethylimidazol-1-yl)butanamide
CID 61402347
N-(3,4-dichlorophenyl)-4-[2-(2-ethylimidazol-1-yl)ethyl]piperazine-1-carboxamide
CID 90561850
1-(3,4-dichlorophenyl)-3-[3-[(3,4-dichlorophenyl)carbamoylamino]propyl]urea
CID 4159166
1-(3,4-dichlorophenyl)-3-[4-[(3,4-dichlorophenyl)carbamoylamino]butyl]urea
CID 15270622
2-chloro-5-[3-(2-ethylimidazol-1-yl)propylsulfamoyl]-4-fluorobenzoic acid
CID 131929314
2-chloro-N-propyl-4-(3-pyridin-2-ylpropylcarbamoylamino)benzamide
CID 72871559

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[3-(2-ethylimidazol-1-yl)propylcarbamoylamino]benzamide?
The IUPAC name of 2-chloro-4-[3-(2-ethylimidazol-1-yl)propylcarbamoylamino]benzamide (CID 118782102) is 2-chloro-4-[3-(2-ethylimidazol-1-yl)propylcarbamoylamino]benzamide.
What is the SMILES notation for 2-chloro-4-[3-(2-ethylimidazol-1-yl)propylcarbamoylamino]benzamide?
The canonical SMILES for 2-chloro-4-[3-(2-ethylimidazol-1-yl)propylcarbamoylamino]benzamide is CCc1nccn1CCCNC(=O)Nc1ccc(C(N)=O)c(Cl)c1.
What is the InChIKey of 2-chloro-4-[3-(2-ethylimidazol-1-yl)propylcarbamoylamino]benzamide?
The InChIKey is HMMCMYADUPARKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN5O2/c1-2-14-19-7-9-22(14)8-3-6-20-16(24)21-11-4-5-12(15(18)23)13(17)10-11/h4-5,7,9-10H,2-3,6,8H2,1H3,(H2,18,23)(H2,20,21,24).
What are the key properties of 2-chloro-4-[3-(2-ethylimidazol-1-yl)propylcarbamoylamino]benzamide?
2-chloro-4-[3-(2-ethylimidazol-1-yl)propylcarbamoylamino]benzamide has a molecular weight of 349.82 g/mol, XLogP of 2.41, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[3-(2-ethylimidazol-1-yl)propylcarbamoylamino]benzamide is sourced from PubChem (CID 118782102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).