1-(1-amino-2-cyclopropylpropan-2-yl)-3-(3-chloro-4-methylphenyl)urea

C14H20ClN3O — CID 115307816

IUPAC1-(1-amino-2-cyclopropylpropan-2-yl)-3-(3-chloro-4-methylphenyl)urea
SMILESCc1ccc(NC(=O)NC(C)(CN)C2CC2)cc1Cl
InChIInChI=1S/C14H20ClN3O/c1-9-3-6-11(7-12(9)15)17-13(19)18-14(2,8-16)10-4-5-10/h3,6-7,10H,4-5,8,16H2,1-2H3,(H2,17,18,19)
InChIKeyWYEPKEMSWRBSKY-UHFFFAOYSA-N
MW281.79 g/mol
LogP2.90
Rot. Bonds4

About 1-(1-amino-2-cyclopropylpropan-2-yl)-3-(3-chloro-4-methylphenyl)urea

1-(1-amino-2-cyclopropylpropan-2-yl)-3-(3-chloro-4-methylphenyl)urea (PubChem CID 115307816) has the molecular formula C14H20ClN3O and a molecular weight of 281.79 g/mol. Its IUPAC name is 1-(1-amino-2-cyclopropylpropan-2-yl)-3-(3-chloro-4-methylphenyl)urea.

Molecular Properties

Compound Name1-(1-amino-2-cyclopropylpropan-2-yl)-3-(3-chloro-4-methylphenyl)urea
PubChem CID115307816
Molecular FormulaC14H20ClN3O
Molecular Weight281.79 g/mol
Exact Mass281.13
IUPAC Name1-(1-amino-2-cyclopropylpropan-2-yl)-3-(3-chloro-4-methylphenyl)urea
SMILESCc1ccc(NC(=O)NC(C)(CN)C2CC2)cc1Cl
InChIInChI=1S/C14H20ClN3O/c1-9-3-6-11(7-12(9)15)17-13(19)18-14(2,8-16)10-4-5-10/h3,6-7,10H,4-5,8,16H2,1-2H3,(H2,17,18,19)
InChIKeyWYEPKEMSWRBSKY-UHFFFAOYSA-N
XLogP2.90
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.79
LogP ≤ 52.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-amino-2-cyclopropylpropan-2-yl)-3-chloro-4-methylbenzamide;hydrochloride
CID 119574274
1-(1-amino-2-cyclopropylpropan-2-yl)-3-[4-chloro-2-(2-chlorophenyl)phenyl]urea
CID 167873930
1-(3-chloro-4-methylphenyl)-3-cyclopropylurea
CID 6469220
1-(3-amino-2,2-difluoropropyl)-3-(3-chloro-4-methylphenyl)urea
CID 114383867
N-(1-amino-2-cyclopropylpropan-2-yl)-3,4-dimethylbenzamide
CID 81485410
2-cyclopropyl-2-[(3,4-dichlorophenyl)carbamoylamino]propanoic acid
CID 43163255
1-(4-tert-butylphenyl)-3-(3-chloro-4-methylphenyl)urea
CID 108884728
2-[(3-chloro-4-methylphenyl)carbamoylamino]-3,3,3-trifluoro-2-methylpropanoic acid
CID 79790048
N-(1-amino-2-cyclopropylpropan-2-yl)-2-(4-chlorophenyl)acetamide
CID 81487152
1-(3-chloro-4-methylphenyl)-3-cycloheptylurea
CID 73352041
1-(1-aminopropan-2-yl)-3-(3-chloro-4-methylphenyl)urea
CID 63731547
N-(1-amino-2-cyclopropylpropan-2-yl)-2,5-dichlorobenzamide;hydrochloride
CID 119572690

Frequently Asked Questions

What is the IUPAC name of 1-(1-amino-2-cyclopropylpropan-2-yl)-3-(3-chloro-4-methylphenyl)urea?
The IUPAC name of 1-(1-amino-2-cyclopropylpropan-2-yl)-3-(3-chloro-4-methylphenyl)urea (CID 115307816) is 1-(1-amino-2-cyclopropylpropan-2-yl)-3-(3-chloro-4-methylphenyl)urea.
What is the SMILES notation for 1-(1-amino-2-cyclopropylpropan-2-yl)-3-(3-chloro-4-methylphenyl)urea?
The canonical SMILES for 1-(1-amino-2-cyclopropylpropan-2-yl)-3-(3-chloro-4-methylphenyl)urea is Cc1ccc(NC(=O)NC(C)(CN)C2CC2)cc1Cl.
What is the InChIKey of 1-(1-amino-2-cyclopropylpropan-2-yl)-3-(3-chloro-4-methylphenyl)urea?
The InChIKey is WYEPKEMSWRBSKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3O/c1-9-3-6-11(7-12(9)15)17-13(19)18-14(2,8-16)10-4-5-10/h3,6-7,10H,4-5,8,16H2,1-2H3,(H2,17,18,19).
What are the key properties of 1-(1-amino-2-cyclopropylpropan-2-yl)-3-(3-chloro-4-methylphenyl)urea?
1-(1-amino-2-cyclopropylpropan-2-yl)-3-(3-chloro-4-methylphenyl)urea has a molecular weight of 281.79 g/mol, XLogP of 2.90, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-amino-2-cyclopropylpropan-2-yl)-3-(3-chloro-4-methylphenyl)urea is sourced from PubChem (CID 115307816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).