1-cyclopropyl-3-[(1R)-1-(2,4-dichlorophenyl)ethyl]urea

C12H14Cl2N2O — CID 29023001

IUPAC1-cyclopropyl-3-[(1R)-1-(2,4-dichlorophenyl)ethyl]urea
SMILESC[C@@H](NC(=O)NC1CC1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C12H14Cl2N2O/c1-7(15-12(17)16-9-3-4-9)10-5-2-8(13)6-11(10)14/h2,5-7,9H,3-4H2,1H3,(H2,15,16,17)/t7-/m1/s1
InChIKeyQNNAIKJCBBCASG-SSDOTTSWSA-N
MW273.16 g/mol
LogP3.52
Rot. Bonds3

About 1-cyclopropyl-3-[(1R)-1-(2,4-dichlorophenyl)ethyl]urea

1-cyclopropyl-3-[(1R)-1-(2,4-dichlorophenyl)ethyl]urea (PubChem CID 29023001) has the molecular formula C12H14Cl2N2O and a molecular weight of 273.16 g/mol. Its IUPAC name is 1-cyclopropyl-3-[(1R)-1-(2,4-dichlorophenyl)ethyl]urea.

Molecular Properties

Compound Name1-cyclopropyl-3-[(1R)-1-(2,4-dichlorophenyl)ethyl]urea
PubChem CID29023001
Molecular FormulaC12H14Cl2N2O
Molecular Weight273.16 g/mol
Exact Mass272.05
IUPAC Name1-cyclopropyl-3-[(1R)-1-(2,4-dichlorophenyl)ethyl]urea
SMILESC[C@@H](NC(=O)NC1CC1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C12H14Cl2N2O/c1-7(15-12(17)16-9-3-4-9)10-5-2-8(13)6-11(10)14/h2,5-7,9H,3-4H2,1H3,(H2,15,16,17)/t7-/m1/s1
InChIKeyQNNAIKJCBBCASG-SSDOTTSWSA-N
XLogP3.52
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.16
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

2-chloro-N-[1-(2,4-dichlorophenyl)ethylcarbamoyl]acetamide
CID 43328744
(2R)-N-cyclopropyl-2-[[(1R)-1-(2,4-dichlorophenyl)ethyl]amino]-2-phenylacetamide
CID 9041090
(2S)-N-cyclopropyl-2-[[(1S)-1-(2,4-dichlorophenyl)ethyl]amino]-2-phenylacetamide
CID 9041075
4-[[amino-[1-(2,4-dichlorophenyl)ethylamino]methylidene]amino]-N-cyclopropylbutanamide
CID 111066175
cis-(1S,2R)-N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-2-methylcyclopropane-1-carboxamide
CID 31200966
(2S)-2-chloro-N-[(1S)-1-(2,4-dichlorophenyl)ethyl]propanamide
CID 2118112
N-[2-(cyclopropylamino)-2-oxoethyl]-2-[1-(2,4-dichlorophenyl)ethylamino]-N-methylpropanamide
CID 86918939
1-[(1S)-1-(2,4-dichlorophenyl)ethyl]-3-[[(1S,3R)-3-hydroxycyclopentyl]methyl]urea
CID 99843267
2-[1-(2,4-dichlorophenyl)ethylcarbamoylamino]-3-hydroxybutanoic acid
CID 61184551
1-[1-(2,4-dichlorophenyl)ethylcarbamoyl]cyclopropane-1-carboxylic acid
CID 62096941
2-[cyclopropyl(methyl)amino]-N-[1-(2,4-dichlorophenyl)ethyl]acetamide
CID 42956358
N-[1-(2,4-dichlorophenyl)ethyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119683877

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-[(1R)-1-(2,4-dichlorophenyl)ethyl]urea?
The IUPAC name of 1-cyclopropyl-3-[(1R)-1-(2,4-dichlorophenyl)ethyl]urea (CID 29023001) is 1-cyclopropyl-3-[(1R)-1-(2,4-dichlorophenyl)ethyl]urea.
What is the SMILES notation for 1-cyclopropyl-3-[(1R)-1-(2,4-dichlorophenyl)ethyl]urea?
The canonical SMILES for 1-cyclopropyl-3-[(1R)-1-(2,4-dichlorophenyl)ethyl]urea is C[C@@H](NC(=O)NC1CC1)c1ccc(Cl)cc1Cl.
What is the InChIKey of 1-cyclopropyl-3-[(1R)-1-(2,4-dichlorophenyl)ethyl]urea?
The InChIKey is QNNAIKJCBBCASG-SSDOTTSWSA-N. The full InChI is InChI=1S/C12H14Cl2N2O/c1-7(15-12(17)16-9-3-4-9)10-5-2-8(13)6-11(10)14/h2,5-7,9H,3-4H2,1H3,(H2,15,16,17)/t7-/m1/s1.
What are the key properties of 1-cyclopropyl-3-[(1R)-1-(2,4-dichlorophenyl)ethyl]urea?
1-cyclopropyl-3-[(1R)-1-(2,4-dichlorophenyl)ethyl]urea has a molecular weight of 273.16 g/mol, XLogP of 3.52, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-[(1R)-1-(2,4-dichlorophenyl)ethyl]urea is sourced from PubChem (CID 29023001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).