1-[(3-chlorophenyl)methyl]-3-[[(2S,4S)-2-methyloxan-4-yl]methyl]urea

C15H21ClN2O2 — CID 125136345

IUPAC1-[(3-chlorophenyl)methyl]-3-[[(2S,4S)-2-methyloxan-4-yl]methyl]urea
SMILESC[C@H]1C[C@@H](CNC(=O)NCc2cccc(Cl)c2)CCO1
InChIInChI=1S/C15H21ClN2O2/c1-11-7-13(5-6-20-11)10-18-15(19)17-9-12-3-2-4-14(16)8-12/h2-4,8,11,13H,5-7,9-10H2,1H3,(H2,17,18,19)/t11-,13-/m0/s1
InChIKeyOUVHUHRVARDCLQ-AAEUAGOBSA-N
MW296.80 g/mol
LogP2.95
Rot. Bonds4

About 1-[(3-chlorophenyl)methyl]-3-[[(2S,4S)-2-methyloxan-4-yl]methyl]urea

1-[(3-chlorophenyl)methyl]-3-[[(2S,4S)-2-methyloxan-4-yl]methyl]urea (PubChem CID 125136345) has the molecular formula C15H21ClN2O2 and a molecular weight of 296.80 g/mol. Its IUPAC name is 1-[(3-chlorophenyl)methyl]-3-[[(2S,4S)-2-methyloxan-4-yl]methyl]urea.

Molecular Properties

Compound Name1-[(3-chlorophenyl)methyl]-3-[[(2S,4S)-2-methyloxan-4-yl]methyl]urea
PubChem CID125136345
Molecular FormulaC15H21ClN2O2
Molecular Weight296.80 g/mol
Exact Mass296.13
IUPAC Name1-[(3-chlorophenyl)methyl]-3-[[(2S,4S)-2-methyloxan-4-yl]methyl]urea
SMILESC[C@H]1C[C@@H](CNC(=O)NCc2cccc(Cl)c2)CCO1
InChIInChI=1S/C15H21ClN2O2/c1-11-7-13(5-6-20-11)10-18-15(19)17-9-12-3-2-4-14(16)8-12/h2-4,8,11,13H,5-7,9-10H2,1H3,(H2,17,18,19)/t11-,13-/m0/s1
InChIKeyOUVHUHRVARDCLQ-AAEUAGOBSA-N
XLogP2.95
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.80
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(3-fluorophenyl)ethyl]-3-[[(2S,4R)-2-methyloxan-4-yl]methyl]urea
CID 129471423
N-[(3-chlorophenyl)methyl]oxolane-2-carboxamide
CID 2971265
N-[(2-methyloxan-4-yl)methyl]acetamide
CID 127727731
N-[(3-chlorophenyl)methyl]-3-methyloxirane-2-carboxamide
CID 134349407
1-[(5-chloro-2-methylphenyl)methyl]-3-[(3-chlorophenyl)methyl]urea
CID 42609411
N-[(3-chlorophenyl)methyl]-2,6-dimethylpiperidine-1-carboxamide
CID 108898698
N-[3-[[(4-methylcyclohexyl)methylcarbamoylamino]methyl]phenyl]acetamide
CID 56798858
1-[[(2R,4S)-2-methyloxan-4-yl]methyl]-3-quinolin-8-ylurea
CID 97255277
3-[(3-chlorophenyl)methylcarbamoylamino]-2,2-dimethylpropanoic acid
CID 115428746
2-[3-[(2-methyloxan-4-yl)methylcarbamoyl]phenoxy]acetic acid
CID 120552523
N-[(3-bromocyclopentyl)methyl]-2-(3-chlorophenyl)acetamide
CID 106128298
N-[(3-chlorocyclohexyl)methyl]-2-(3-chlorophenyl)acetamide
CID 106132016

Frequently Asked Questions

What is the IUPAC name of 1-[(3-chlorophenyl)methyl]-3-[[(2S,4S)-2-methyloxan-4-yl]methyl]urea?
The IUPAC name of 1-[(3-chlorophenyl)methyl]-3-[[(2S,4S)-2-methyloxan-4-yl]methyl]urea (CID 125136345) is 1-[(3-chlorophenyl)methyl]-3-[[(2S,4S)-2-methyloxan-4-yl]methyl]urea.
What is the SMILES notation for 1-[(3-chlorophenyl)methyl]-3-[[(2S,4S)-2-methyloxan-4-yl]methyl]urea?
The canonical SMILES for 1-[(3-chlorophenyl)methyl]-3-[[(2S,4S)-2-methyloxan-4-yl]methyl]urea is C[C@H]1C[C@@H](CNC(=O)NCc2cccc(Cl)c2)CCO1.
What is the InChIKey of 1-[(3-chlorophenyl)methyl]-3-[[(2S,4S)-2-methyloxan-4-yl]methyl]urea?
The InChIKey is OUVHUHRVARDCLQ-AAEUAGOBSA-N. The full InChI is InChI=1S/C15H21ClN2O2/c1-11-7-13(5-6-20-11)10-18-15(19)17-9-12-3-2-4-14(16)8-12/h2-4,8,11,13H,5-7,9-10H2,1H3,(H2,17,18,19)/t11-,13-/m0/s1.
What are the key properties of 1-[(3-chlorophenyl)methyl]-3-[[(2S,4S)-2-methyloxan-4-yl]methyl]urea?
1-[(3-chlorophenyl)methyl]-3-[[(2S,4S)-2-methyloxan-4-yl]methyl]urea has a molecular weight of 296.80 g/mol, XLogP of 2.95, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-chlorophenyl)methyl]-3-[[(2S,4S)-2-methyloxan-4-yl]methyl]urea is sourced from PubChem (CID 125136345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).