1-[2-(4-chlorophenyl)-2-methylpropyl]-3-propan-2-ylurea

C14H21ClN2O — CID 47307554

IUPAC1-[2-(4-chlorophenyl)-2-methylpropyl]-3-propan-2-ylurea
SMILESCC(C)NC(=O)NCC(C)(C)c1ccc(Cl)cc1
InChIInChI=1S/C14H21ClN2O/c1-10(2)17-13(18)16-9-14(3,4)11-5-7-12(15)8-6-11/h5-8,10H,9H2,1-4H3,(H2,16,17,18)
InChIKeyNVASSJVXNBVEHE-UHFFFAOYSA-N
MW268.79 g/mol
LogP3.33
Rot. Bonds4

About 1-[2-(4-chlorophenyl)-2-methylpropyl]-3-propan-2-ylurea

1-[2-(4-chlorophenyl)-2-methylpropyl]-3-propan-2-ylurea (PubChem CID 47307554) has the molecular formula C14H21ClN2O and a molecular weight of 268.79 g/mol. Its IUPAC name is 1-[2-(4-chlorophenyl)-2-methylpropyl]-3-propan-2-ylurea.

Molecular Properties

Compound Name1-[2-(4-chlorophenyl)-2-methylpropyl]-3-propan-2-ylurea
PubChem CID47307554
Molecular FormulaC14H21ClN2O
Molecular Weight268.79 g/mol
Exact Mass268.13
IUPAC Name1-[2-(4-chlorophenyl)-2-methylpropyl]-3-propan-2-ylurea
SMILESCC(C)NC(=O)NCC(C)(C)c1ccc(Cl)cc1
InChIInChI=1S/C14H21ClN2O/c1-10(2)17-13(18)16-9-14(3,4)11-5-7-12(15)8-6-11/h5-8,10H,9H2,1-4H3,(H2,16,17,18)
InChIKeyNVASSJVXNBVEHE-UHFFFAOYSA-N
XLogP3.33
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.79
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(4-chlorophenyl)methyl]-3-[2-(4-chlorophenyl)-2-methylpropyl]urea
CID 113213436
N-[2-(4-chlorophenyl)-2-methylpropyl]-2-methyl-3-(methylamino)propanamide
CID 119738068
(2R)-2-amino-N-[2-(4-chlorophenyl)-2-methylpropyl]propanamide;hydrochloride
CID 119297367
N-[2-(4-chlorophenyl)-2-methylpropyl]-2-sulfanylacetamide
CID 115167558
2-amino-N-[2-(4-chlorophenyl)-2-methylpropyl]-2-methylpropanamide
CID 110460951
4-amino-N-[2-(4-chlorophenyl)-2-methylpropyl]pentanamide;hydrochloride
CID 120560827
3-chloro-N-[2-(4-chlorophenyl)-2-methylpropyl]propanamide
CID 110480800
methyl 2-[[2-(4-chlorophenyl)-2-methylpropyl]amino]-2-oxoacetate
CID 115142659
N-[2-(4-chlorophenyl)-2-methylpropyl]-2-(methylamino)acetamide;hydrochloride
CID 119738056
3-[2-(4-chlorophenyl)-2-methylpropyl]-1,1-diethylurea
CID 60547202
3-[[2-(4-chlorophenyl)-2-methylpropyl]amino]-2-methylpropanoic acid
CID 115219650
1-(4-chlorophenyl)-3-[2-(4-methoxyphenyl)-2-methylpropyl]urea
CID 113213625

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-chlorophenyl)-2-methylpropyl]-3-propan-2-ylurea?
The IUPAC name of 1-[2-(4-chlorophenyl)-2-methylpropyl]-3-propan-2-ylurea (CID 47307554) is 1-[2-(4-chlorophenyl)-2-methylpropyl]-3-propan-2-ylurea.
What is the SMILES notation for 1-[2-(4-chlorophenyl)-2-methylpropyl]-3-propan-2-ylurea?
The canonical SMILES for 1-[2-(4-chlorophenyl)-2-methylpropyl]-3-propan-2-ylurea is CC(C)NC(=O)NCC(C)(C)c1ccc(Cl)cc1.
What is the InChIKey of 1-[2-(4-chlorophenyl)-2-methylpropyl]-3-propan-2-ylurea?
The InChIKey is NVASSJVXNBVEHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O/c1-10(2)17-13(18)16-9-14(3,4)11-5-7-12(15)8-6-11/h5-8,10H,9H2,1-4H3,(H2,16,17,18).
What are the key properties of 1-[2-(4-chlorophenyl)-2-methylpropyl]-3-propan-2-ylurea?
1-[2-(4-chlorophenyl)-2-methylpropyl]-3-propan-2-ylurea has a molecular weight of 268.79 g/mol, XLogP of 3.33, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-chlorophenyl)-2-methylpropyl]-3-propan-2-ylurea is sourced from PubChem (CID 47307554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).