1-(4-amino-2-chlorophenyl)-3-(cyclopentylmethyl)urea

C13H18ClN3O — CID 108902549

IUPAC1-(4-amino-2-chlorophenyl)-3-(cyclopentylmethyl)urea
SMILESNc1ccc(NC(=O)NCC2CCCC2)c(Cl)c1
InChIInChI=1S/C13H18ClN3O/c14-11-7-10(15)5-6-12(11)17-13(18)16-8-9-3-1-2-4-9/h5-7,9H,1-4,8,15H2,(H2,16,17,18)
InChIKeyYKKNZJVFOYSKHK-UHFFFAOYSA-N
MW267.76 g/mol
LogP3.23
Rot. Bonds3

About 1-(4-amino-2-chlorophenyl)-3-(cyclopentylmethyl)urea

1-(4-amino-2-chlorophenyl)-3-(cyclopentylmethyl)urea (PubChem CID 108902549) has the molecular formula C13H18ClN3O and a molecular weight of 267.76 g/mol. Its IUPAC name is 1-(4-amino-2-chlorophenyl)-3-(cyclopentylmethyl)urea.

Molecular Properties

Compound Name1-(4-amino-2-chlorophenyl)-3-(cyclopentylmethyl)urea
PubChem CID108902549
Molecular FormulaC13H18ClN3O
Molecular Weight267.76 g/mol
Exact Mass267.11
IUPAC Name1-(4-amino-2-chlorophenyl)-3-(cyclopentylmethyl)urea
SMILESNc1ccc(NC(=O)NCC2CCCC2)c(Cl)c1
InChIInChI=1S/C13H18ClN3O/c14-11-7-10(15)5-6-12(11)17-13(18)16-8-9-3-1-2-4-9/h5-7,9H,1-4,8,15H2,(H2,16,17,18)
InChIKeyYKKNZJVFOYSKHK-UHFFFAOYSA-N
XLogP3.23
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.76
LogP ≤ 53.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(4-amino-2-chlorophenyl)-2-cyclohexylacetamide
CID 28776891
N-(4-amino-2-chlorophenyl)-2-(cyclopentylmethoxy)acetamide
CID 66324082
N-(4-amino-2-chlorophenyl)-2-(cyclohexylmethoxy)propanamide
CID 62382552
5-amino-2-chloro-N-(cyclohexylmethyl)benzamide
CID 43371364
1-(2,4-dichlorophenyl)-3-(oxan-4-ylmethyl)urea
CID 108912758
1-(3-chloro-2-hydroxyphenyl)-3-(cyclohexylmethyl)urea
CID 69012648
1-(4-amino-2-chlorophenyl)-3-(cyanomethyl)urea
CID 108864717
1-(2-chloro-4-methylphenyl)-3-[(3-hydroxycyclohexyl)methyl]urea
CID 111472842
1-(2-chlorophenyl)-3-[[(1S,3S)-3-[[(2-chlorophenyl)carbamoylamino]methyl]cyclohexyl]methyl]urea
CID 27138030
1-(cyclohexylmethyl)-3-(3,4-dichlorophenyl)urea
CID 5235617
5-chloro-2-(cyclopropylmethylcarbamoylamino)benzoic acid
CID 61182658
N-(4-amino-2-chlorophenyl)-3-[cyclopentylmethyl(methyl)amino]propanamide
CID 63633289

Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-2-chlorophenyl)-3-(cyclopentylmethyl)urea?
The IUPAC name of 1-(4-amino-2-chlorophenyl)-3-(cyclopentylmethyl)urea (CID 108902549) is 1-(4-amino-2-chlorophenyl)-3-(cyclopentylmethyl)urea.
What is the SMILES notation for 1-(4-amino-2-chlorophenyl)-3-(cyclopentylmethyl)urea?
The canonical SMILES for 1-(4-amino-2-chlorophenyl)-3-(cyclopentylmethyl)urea is Nc1ccc(NC(=O)NCC2CCCC2)c(Cl)c1.
What is the InChIKey of 1-(4-amino-2-chlorophenyl)-3-(cyclopentylmethyl)urea?
The InChIKey is YKKNZJVFOYSKHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3O/c14-11-7-10(15)5-6-12(11)17-13(18)16-8-9-3-1-2-4-9/h5-7,9H,1-4,8,15H2,(H2,16,17,18).
What are the key properties of 1-(4-amino-2-chlorophenyl)-3-(cyclopentylmethyl)urea?
1-(4-amino-2-chlorophenyl)-3-(cyclopentylmethyl)urea has a molecular weight of 267.76 g/mol, XLogP of 3.23, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-2-chlorophenyl)-3-(cyclopentylmethyl)urea is sourced from PubChem (CID 108902549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).