1-[(1S)-1-(2-chlorophenyl)ethyl]-3-propan-2-ylurea

C12H17ClN2O — CID 29026170

IUPAC1-[(1S)-1-(2-chlorophenyl)ethyl]-3-propan-2-ylurea
SMILESCC(C)NC(=O)N[C@@H](C)c1ccccc1Cl
InChIInChI=1S/C12H17ClN2O/c1-8(2)14-12(16)15-9(3)10-6-4-5-7-11(10)13/h4-9H,1-3H3,(H2,14,15,16)/t9-/m0/s1
InChIKeyCADYTWCKQBKXKJ-VIFPVBQESA-N
MW240.73 g/mol
LogP3.11
Rot. Bonds3

About 1-[(1S)-1-(2-chlorophenyl)ethyl]-3-propan-2-ylurea

1-[(1S)-1-(2-chlorophenyl)ethyl]-3-propan-2-ylurea (PubChem CID 29026170) has the molecular formula C12H17ClN2O and a molecular weight of 240.73 g/mol. Its IUPAC name is 1-[(1S)-1-(2-chlorophenyl)ethyl]-3-propan-2-ylurea.

Molecular Properties

Compound Name1-[(1S)-1-(2-chlorophenyl)ethyl]-3-propan-2-ylurea
PubChem CID29026170
Molecular FormulaC12H17ClN2O
Molecular Weight240.73 g/mol
Exact Mass240.10
IUPAC Name1-[(1S)-1-(2-chlorophenyl)ethyl]-3-propan-2-ylurea
SMILESCC(C)NC(=O)N[C@@H](C)c1ccccc1Cl
InChIInChI=1S/C12H17ClN2O/c1-8(2)14-12(16)15-9(3)10-6-4-5-7-11(10)13/h4-9H,1-3H3,(H2,14,15,16)/t9-/m0/s1
InChIKeyCADYTWCKQBKXKJ-VIFPVBQESA-N
XLogP3.11
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.73
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-N-propan-2-ylpropanamide
CID 81378852
2-amino-N-[(1R)-1-(2-chlorophenyl)ethyl]propanamide
CID 81378427
1-[1-(2-chlorophenyl)ethyl]-3-[1-(oxolan-2-yl)ethyl]urea
CID 46486147
N-[1-(2-chlorophenyl)ethyl]-3-methylbutanamide
CID 78773468
N-[1-(2-chlorophenyl)ethyl]-2-(methylamino)acetamide
CID 60641198
2-amino-N-[(1S)-1-(2-chlorophenyl)ethyl]acetamide
CID 81378449
N-[3-[1-[1-(2-chlorophenyl)ethylcarbamoylamino]ethyl]phenyl]acetamide
CID 71897814
2-amino-N-[1-(2-chlorophenyl)ethyl]acetamide;hydrochloride
CID 119268984
4-[[(1R)-1-(2-chlorophenyl)ethyl]carbamoylamino]butanamide
CID 94157556
4-[[(1S)-1-(2-chlorophenyl)ethyl]carbamoylamino]butanoic acid
CID 122015571
1-[1-(2-chlorophenyl)ethyl]-3-(2-hydroxy-2,3-dimethylbutyl)urea
CID 111120831
3-[1-(2-chlorophenyl)ethyl]-1,1-diethylurea
CID 115583154

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-(2-chlorophenyl)ethyl]-3-propan-2-ylurea?
The IUPAC name of 1-[(1S)-1-(2-chlorophenyl)ethyl]-3-propan-2-ylurea (CID 29026170) is 1-[(1S)-1-(2-chlorophenyl)ethyl]-3-propan-2-ylurea.
What is the SMILES notation for 1-[(1S)-1-(2-chlorophenyl)ethyl]-3-propan-2-ylurea?
The canonical SMILES for 1-[(1S)-1-(2-chlorophenyl)ethyl]-3-propan-2-ylurea is CC(C)NC(=O)N[C@@H](C)c1ccccc1Cl.
What is the InChIKey of 1-[(1S)-1-(2-chlorophenyl)ethyl]-3-propan-2-ylurea?
The InChIKey is CADYTWCKQBKXKJ-VIFPVBQESA-N. The full InChI is InChI=1S/C12H17ClN2O/c1-8(2)14-12(16)15-9(3)10-6-4-5-7-11(10)13/h4-9H,1-3H3,(H2,14,15,16)/t9-/m0/s1.
What are the key properties of 1-[(1S)-1-(2-chlorophenyl)ethyl]-3-propan-2-ylurea?
1-[(1S)-1-(2-chlorophenyl)ethyl]-3-propan-2-ylurea has a molecular weight of 240.73 g/mol, XLogP of 3.11, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-1-(2-chlorophenyl)ethyl]-3-propan-2-ylurea is sourced from PubChem (CID 29026170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).