3-(2-chlorophenyl)pentanediamide

C11H13ClN2O2 — CID 13034531

IUPAC3-(2-chlorophenyl)pentanediamide
SMILESNC(=O)CC(CC(N)=O)c1ccccc1Cl
InChIInChI=1S/C11H13ClN2O2/c12-9-4-2-1-3-8(9)7(5-10(13)15)6-11(14)16/h1-4,7H,5-6H2,(H2,13,15)(H2,14,16)
InChIKeyBFOBNJFJPNXQIU-UHFFFAOYSA-N
MW240.69 g/mol
LogP1.17
Rot. Bonds5

About 3-(2-chlorophenyl)pentanediamide

3-(2-chlorophenyl)pentanediamide (PubChem CID 13034531) has the molecular formula C11H13ClN2O2 and a molecular weight of 240.69 g/mol. Its IUPAC name is 3-(2-chlorophenyl)pentanediamide.

Molecular Properties

Compound Name3-(2-chlorophenyl)pentanediamide
PubChem CID13034531
Molecular FormulaC11H13ClN2O2
Molecular Weight240.69 g/mol
Exact Mass240.07
IUPAC Name3-(2-chlorophenyl)pentanediamide
SMILESNC(=O)CC(CC(N)=O)c1ccccc1Cl
InChIInChI=1S/C11H13ClN2O2/c12-9-4-2-1-3-8(9)7(5-10(13)15)6-11(14)16/h1-4,7H,5-6H2,(H2,13,15)(H2,14,16)
InChIKeyBFOBNJFJPNXQIU-UHFFFAOYSA-N
XLogP1.17
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.69
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-3-amino-3-(2-chlorophenyl)propanamide;hydrochloride
CID 71755470
3-(2-iodophenyl)pentanediamide
CID 20546578
[(2S)-3-carbamoyloxy-2-(2-chlorophenyl)propyl] acetate
CID 67573538
3-(2-methoxyphenyl)pentanediamide
CID 20546356
(3S)-3-amino-3-(2,3-dichlorophenyl)propanamide
CID 29060246
4-amino-3-[1-(2-chlorophenyl)ethyl-methylamino]butanamide
CID 66427548
(3S)-5-amino-3-(2-fluorophenyl)-5-oxopentanoic acid
CID 97013866
[2-amino-2-(2-chlorophenyl)ethyl] carbamate;hydrochloride
CID 68646285
2-(2-chlorophenyl)-2-fluoroacetamide
CID 115017416
(3S)-3-(2-chlorophenyl)-3-hydroxypropanoic acid
CID 11975499
4-amino-4-(2-chlorophenyl)butan-2-one
CID 134204644
[2-(2-chlorophenyl)-3-hydroxybutyl] carbamate
CID 174774368

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)pentanediamide?
The IUPAC name of 3-(2-chlorophenyl)pentanediamide (CID 13034531) is 3-(2-chlorophenyl)pentanediamide.
What is the SMILES notation for 3-(2-chlorophenyl)pentanediamide?
The canonical SMILES for 3-(2-chlorophenyl)pentanediamide is NC(=O)CC(CC(N)=O)c1ccccc1Cl.
What is the InChIKey of 3-(2-chlorophenyl)pentanediamide?
The InChIKey is BFOBNJFJPNXQIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2O2/c12-9-4-2-1-3-8(9)7(5-10(13)15)6-11(14)16/h1-4,7H,5-6H2,(H2,13,15)(H2,14,16).
What are the key properties of 3-(2-chlorophenyl)pentanediamide?
3-(2-chlorophenyl)pentanediamide has a molecular weight of 240.69 g/mol, XLogP of 1.17, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)pentanediamide is sourced from PubChem (CID 13034531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).