N-[3-[2-(2-chlorophenyl)ethylcarbamoylamino]propyl]formamide

C13H18ClN3O2 — CID 108900336

IUPACN-[3-[2-(2-chlorophenyl)ethylcarbamoylamino]propyl]formamide
SMILESO=CNCCCNC(=O)NCCc1ccccc1Cl
InChIInChI=1S/C13H18ClN3O2/c14-12-5-2-1-4-11(12)6-9-17-13(19)16-8-3-7-15-10-18/h1-2,4-5,10H,3,6-9H2,(H,15,18)(H2,16,17,19)
InChIKeyJYDVDZJXBVNARY-UHFFFAOYSA-N
MW283.76 g/mol
LogP1.32
Rot. Bonds8

About N-[3-[2-(2-chlorophenyl)ethylcarbamoylamino]propyl]formamide

N-[3-[2-(2-chlorophenyl)ethylcarbamoylamino]propyl]formamide (PubChem CID 108900336) has the molecular formula C13H18ClN3O2 and a molecular weight of 283.76 g/mol. Its IUPAC name is N-[3-[2-(2-chlorophenyl)ethylcarbamoylamino]propyl]formamide.

Molecular Properties

Compound NameN-[3-[2-(2-chlorophenyl)ethylcarbamoylamino]propyl]formamide
PubChem CID108900336
Molecular FormulaC13H18ClN3O2
Molecular Weight283.76 g/mol
Exact Mass283.11
IUPAC NameN-[3-[2-(2-chlorophenyl)ethylcarbamoylamino]propyl]formamide
SMILESO=CNCCCNC(=O)NCCc1ccccc1Cl
InChIInChI=1S/C13H18ClN3O2/c14-12-5-2-1-4-11(12)6-9-17-13(19)16-8-3-7-15-10-18/h1-2,4-5,10H,3,6-9H2,(H,15,18)(H2,16,17,19)
InChIKeyJYDVDZJXBVNARY-UHFFFAOYSA-N
XLogP1.32
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds8
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': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(2-phenylethylcarbamoylamino)propyl]formamide
CID 108888088
N-[2-[2-(2-chlorophenyl)ethylcarbamoylamino]ethyl]acetamide
CID 47448428
1-[2-(2-chlorophenyl)ethyl]-3-(2-methylpropyl)urea
CID 108867353
1-[2-(2-chlorophenyl)ethyl]-3-[(2-methylphenyl)methyl]urea
CID 60595877
1-[2-(2-chlorophenyl)ethyl]-3-[2-(2-hydroxyethoxy)ethyl]urea
CID 108900299
1-[(4-bromophenyl)methyl]-3-[2-(2-chlorophenyl)ethyl]urea
CID 108899597
1-(3-chlorophenyl)-3-[2-(2-chlorophenyl)ethyl]urea
CID 47455296
tert-butyl N-[2-[2-(2-chlorophenyl)ethylcarbamoylamino]ethyl]carbamate
CID 108864598
1-[2-(2-chlorophenyl)ethyl]-3-pyrimidin-2-ylurea
CID 108900277
4-amino-N-[2-(2-chlorophenyl)ethyl]butanamide;hydrochloride
CID 44818079
1-[2-(2-chlorophenyl)ethyl]-3-[(2-methoxyphenyl)methyl]urea
CID 108897450
1-[2-(2-chlorophenyl)ethyl]-3-(cyclohexylmethyl)urea
CID 108903046

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(2-chlorophenyl)ethylcarbamoylamino]propyl]formamide?
The IUPAC name of N-[3-[2-(2-chlorophenyl)ethylcarbamoylamino]propyl]formamide (CID 108900336) is N-[3-[2-(2-chlorophenyl)ethylcarbamoylamino]propyl]formamide.
What is the SMILES notation for N-[3-[2-(2-chlorophenyl)ethylcarbamoylamino]propyl]formamide?
The canonical SMILES for N-[3-[2-(2-chlorophenyl)ethylcarbamoylamino]propyl]formamide is O=CNCCCNC(=O)NCCc1ccccc1Cl.
What is the InChIKey of N-[3-[2-(2-chlorophenyl)ethylcarbamoylamino]propyl]formamide?
The InChIKey is JYDVDZJXBVNARY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3O2/c14-12-5-2-1-4-11(12)6-9-17-13(19)16-8-3-7-15-10-18/h1-2,4-5,10H,3,6-9H2,(H,15,18)(H2,16,17,19).
What are the key properties of N-[3-[2-(2-chlorophenyl)ethylcarbamoylamino]propyl]formamide?
N-[3-[2-(2-chlorophenyl)ethylcarbamoylamino]propyl]formamide has a molecular weight of 283.76 g/mol, XLogP of 1.32, 8 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(2-chlorophenyl)ethylcarbamoylamino]propyl]formamide is sourced from PubChem (CID 108900336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).