N-[2-[2-(2-chlorophenyl)ethylcarbamoylamino]ethyl]acetamide

C13H18ClN3O2 — CID 47448428

IUPACN-[2-[2-(2-chlorophenyl)ethylcarbamoylamino]ethyl]acetamide
SMILESCC(=O)NCCNC(=O)NCCc1ccccc1Cl
InChIInChI=1S/C13H18ClN3O2/c1-10(18)15-8-9-17-13(19)16-7-6-11-4-2-3-5-12(11)14/h2-5H,6-9H2,1H3,(H,15,18)(H2,16,17,19)
InChIKeyZPDRGFUTKRSABO-UHFFFAOYSA-N
MW283.76 g/mol
LogP1.32
Rot. Bonds6

About N-[2-[2-(2-chlorophenyl)ethylcarbamoylamino]ethyl]acetamide

N-[2-[2-(2-chlorophenyl)ethylcarbamoylamino]ethyl]acetamide (PubChem CID 47448428) has the molecular formula C13H18ClN3O2 and a molecular weight of 283.76 g/mol. Its IUPAC name is N-[2-[2-(2-chlorophenyl)ethylcarbamoylamino]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[2-(2-chlorophenyl)ethylcarbamoylamino]ethyl]acetamide
PubChem CID47448428
Molecular FormulaC13H18ClN3O2
Molecular Weight283.76 g/mol
Exact Mass283.11
IUPAC NameN-[2-[2-(2-chlorophenyl)ethylcarbamoylamino]ethyl]acetamide
SMILESCC(=O)NCCNC(=O)NCCc1ccccc1Cl
InChIInChI=1S/C13H18ClN3O2/c1-10(18)15-8-9-17-13(19)16-7-6-11-4-2-3-5-12(11)14/h2-5H,6-9H2,1H3,(H,15,18)(H2,16,17,19)
InChIKeyZPDRGFUTKRSABO-UHFFFAOYSA-N
XLogP1.32
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.76
LogP ≤ 51.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(2-chlorophenyl)ethyl]-3-(2-methylpropyl)urea
CID 108867353
tert-butyl N-[2-[2-(2-chlorophenyl)ethylcarbamoylamino]ethyl]carbamate
CID 108864598
1-[2-(2-chlorophenyl)ethyl]-3-[(2-methylphenyl)methyl]urea
CID 60595877
N-[2-[(2-chlorophenyl)carbamoylamino]ethyl]acetamide
CID 47103341
1-[2-(2-chlorophenyl)ethyl]-3-[(2-methoxyphenyl)methyl]urea
CID 108897450
1-[2-(2-chlorophenyl)ethyl]-3-[2-(2-hydroxyethoxy)ethyl]urea
CID 108900299
N-(4-acetamidobutyl)-4-(2-chlorophenyl)butanamide
CID 110609861
N-[3-[2-(2-chlorophenyl)ethylcarbamoylamino]propyl]formamide
CID 108900336
(2S)-2-amino-N-[2-(2-chlorophenyl)ethyl]propanamide
CID 94684847
1-[(4-bromophenyl)methyl]-3-[2-(2-chlorophenyl)ethyl]urea
CID 108899597
1-[2-(2-chlorophenyl)ethyl]-3-pyrimidin-2-ylurea
CID 108900277
1-[2-(2-chlorophenyl)ethyl]-3-(cyclohexylmethyl)urea
CID 108903046

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(2-chlorophenyl)ethylcarbamoylamino]ethyl]acetamide?
The IUPAC name of N-[2-[2-(2-chlorophenyl)ethylcarbamoylamino]ethyl]acetamide (CID 47448428) is N-[2-[2-(2-chlorophenyl)ethylcarbamoylamino]ethyl]acetamide.
What is the SMILES notation for N-[2-[2-(2-chlorophenyl)ethylcarbamoylamino]ethyl]acetamide?
The canonical SMILES for N-[2-[2-(2-chlorophenyl)ethylcarbamoylamino]ethyl]acetamide is CC(=O)NCCNC(=O)NCCc1ccccc1Cl.
What is the InChIKey of N-[2-[2-(2-chlorophenyl)ethylcarbamoylamino]ethyl]acetamide?
The InChIKey is ZPDRGFUTKRSABO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3O2/c1-10(18)15-8-9-17-13(19)16-7-6-11-4-2-3-5-12(11)14/h2-5H,6-9H2,1H3,(H,15,18)(H2,16,17,19).
What are the key properties of N-[2-[2-(2-chlorophenyl)ethylcarbamoylamino]ethyl]acetamide?
N-[2-[2-(2-chlorophenyl)ethylcarbamoylamino]ethyl]acetamide has a molecular weight of 283.76 g/mol, XLogP of 1.32, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(2-chlorophenyl)ethylcarbamoylamino]ethyl]acetamide is sourced from PubChem (CID 47448428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).