1-(1-amino-2-cyclopropylpropan-2-yl)-3-[4-chloro-2-(2-chlorophenyl)phenyl]urea

C19H21Cl2N3O — CID 167873930

IUPAC1-(1-amino-2-cyclopropylpropan-2-yl)-3-[4-chloro-2-(2-chlorophenyl)phenyl]urea
SMILESCC(CN)(NC(=O)Nc1ccc(Cl)cc1-c1ccccc1Cl)C1CC1
InChIInChI=1S/C19H21Cl2N3O/c1-19(11-22,12-6-7-12)24-18(25)23-17-9-8-13(20)10-15(17)14-4-2-3-5-16(14)21/h2-5,8-10,12H,6-7,11,22H2,1H3,(H2,23,24,25)
InChIKeyCFDYVHLWKSMEHQ-UHFFFAOYSA-N
MW378.30 g/mol
LogP4.91
Rot. Bonds5

About 1-(1-amino-2-cyclopropylpropan-2-yl)-3-[4-chloro-2-(2-chlorophenyl)phenyl]urea

1-(1-amino-2-cyclopropylpropan-2-yl)-3-[4-chloro-2-(2-chlorophenyl)phenyl]urea (PubChem CID 167873930) has the molecular formula C19H21Cl2N3O and a molecular weight of 378.30 g/mol. Its IUPAC name is 1-(1-amino-2-cyclopropylpropan-2-yl)-3-[4-chloro-2-(2-chlorophenyl)phenyl]urea.

Molecular Properties

Compound Name1-(1-amino-2-cyclopropylpropan-2-yl)-3-[4-chloro-2-(2-chlorophenyl)phenyl]urea
PubChem CID167873930
Molecular FormulaC19H21Cl2N3O
Molecular Weight378.30 g/mol
Exact Mass377.11
IUPAC Name1-(1-amino-2-cyclopropylpropan-2-yl)-3-[4-chloro-2-(2-chlorophenyl)phenyl]urea
SMILESCC(CN)(NC(=O)Nc1ccc(Cl)cc1-c1ccccc1Cl)C1CC1
InChIInChI=1S/C19H21Cl2N3O/c1-19(11-22,12-6-7-12)24-18(25)23-17-9-8-13(20)10-15(17)14-4-2-3-5-16(14)21/h2-5,8-10,12H,6-7,11,22H2,1H3,(H2,23,24,25)
InChIKeyCFDYVHLWKSMEHQ-UHFFFAOYSA-N
XLogP4.91
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.30
LogP ≤ 54.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-amino-2-cyclopropylpropan-2-yl)-2,5-dichlorobenzamide;hydrochloride
CID 119572690
1-(1-amino-2-cyclopropylpropan-2-yl)-3-(3-chloro-4-methylphenyl)urea
CID 115307816
N-(1-amino-2-cyclopropylpropan-2-yl)-3-(2-chlorophenyl)-1H-pyrazole-5-carboxamide;hydrochloride
CID 119573258
N-(1-amino-2-cyclopropylpropan-2-yl)-5-chloro-2-iodobenzamide;hydrochloride
CID 119573365
1-(3-chloro-2-methoxyphenyl)-3-(2-cyclopropyl-1-hydroxypropan-2-yl)urea
CID 111976344
N-(1-amino-2-cyclopropylpropan-2-yl)-7-chloroquinoline-2-carboxamide
CID 119573656
1-[2-chloro-4-(trifluoromethyl)phenyl]-3-(2-cyclopropyl-1-hydroxypropan-2-yl)urea
CID 111976400
N-(1-amino-2-cyclopropylpropan-2-yl)-2-(4-chlorophenyl)acetamide
CID 81487152
N-(1-amino-2-cyclopropylpropan-2-yl)-3-(2,4-dichlorophenoxy)propanamide;hydrochloride
CID 119574900
1-(2-cyclopropyl-1-hydroxypropan-2-yl)-3-(2-propan-2-ylphenyl)urea
CID 111976218
N-(1-amino-2-cyclopropylpropan-2-yl)-2-[(4-chlorophenyl)sulfonylamino]propanamide;hydrochloride
CID 119574204
N-(1-amino-2-cyclopropylpropan-2-yl)-2-ethylbenzamide
CID 115307666

Frequently Asked Questions

What is the IUPAC name of 1-(1-amino-2-cyclopropylpropan-2-yl)-3-[4-chloro-2-(2-chlorophenyl)phenyl]urea?
The IUPAC name of 1-(1-amino-2-cyclopropylpropan-2-yl)-3-[4-chloro-2-(2-chlorophenyl)phenyl]urea (CID 167873930) is 1-(1-amino-2-cyclopropylpropan-2-yl)-3-[4-chloro-2-(2-chlorophenyl)phenyl]urea.
What is the SMILES notation for 1-(1-amino-2-cyclopropylpropan-2-yl)-3-[4-chloro-2-(2-chlorophenyl)phenyl]urea?
The canonical SMILES for 1-(1-amino-2-cyclopropylpropan-2-yl)-3-[4-chloro-2-(2-chlorophenyl)phenyl]urea is CC(CN)(NC(=O)Nc1ccc(Cl)cc1-c1ccccc1Cl)C1CC1.
What is the InChIKey of 1-(1-amino-2-cyclopropylpropan-2-yl)-3-[4-chloro-2-(2-chlorophenyl)phenyl]urea?
The InChIKey is CFDYVHLWKSMEHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21Cl2N3O/c1-19(11-22,12-6-7-12)24-18(25)23-17-9-8-13(20)10-15(17)14-4-2-3-5-16(14)21/h2-5,8-10,12H,6-7,11,22H2,1H3,(H2,23,24,25).
What are the key properties of 1-(1-amino-2-cyclopropylpropan-2-yl)-3-[4-chloro-2-(2-chlorophenyl)phenyl]urea?
1-(1-amino-2-cyclopropylpropan-2-yl)-3-[4-chloro-2-(2-chlorophenyl)phenyl]urea has a molecular weight of 378.30 g/mol, XLogP of 4.91, 5 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-[4-chloro-2-(2-chlorophenyl)phenyl]urea is sourced from PubChem (CID 167873930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).