(3-chloro-2-methylphenyl)methylurea

C9H11ClN2O — CID 118069885

IUPAC(3-chloro-2-methylphenyl)methylurea
SMILESCc1c(Cl)cccc1CNC(N)=O
InChIInChI=1S/C9H11ClN2O/c1-6-7(5-12-9(11)13)3-2-4-8(6)10/h2-4H,5H2,1H3,(H3,11,12,13)
InChIKeyTXLOXIGSPCFSLP-UHFFFAOYSA-N
MW198.65 g/mol
LogP1.82
Rot. Bonds2

About (3-chloro-2-methylphenyl)methylurea

(3-chloro-2-methylphenyl)methylurea (PubChem CID 118069885) has the molecular formula C9H11ClN2O and a molecular weight of 198.65 g/mol. Its IUPAC name is (3-chloro-2-methylphenyl)methylurea.

Molecular Properties

Compound Name(3-chloro-2-methylphenyl)methylurea
PubChem CID118069885
Molecular FormulaC9H11ClN2O
Molecular Weight198.65 g/mol
Exact Mass198.06
IUPAC Name(3-chloro-2-methylphenyl)methylurea
SMILESCc1c(Cl)cccc1CNC(N)=O
InChIInChI=1S/C9H11ClN2O/c1-6-7(5-12-9(11)13)3-2-4-8(6)10/h2-4H,5H2,1H3,(H3,11,12,13)
InChIKeyTXLOXIGSPCFSLP-UHFFFAOYSA-N
XLogP1.82
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.65
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

N'-[2-(aminomethyl)cyclohexyl]-N-[(3-chloro-2-methylphenyl)methyl]oxamide
CID 167907697
2-chloro-3-(3-chloro-2-methylphenyl)propanamide
CID 82054509
1-(2-amino-2-oxoethyl)-N-[(3-chloro-2-methylphenyl)methyl]piperidine-3-carboxamide
CID 46998796
N-[(3-amino-2-methylphenyl)methyl]-2,3-dichlorobenzamide
CID 103110309
(2,3,4-trichlorophenyl)methylurea
CID 90771605
[2-(aminomethyl)phenyl]methylurea
CID 62949906
N-[(3-chloro-2-methylphenyl)methyl]-4-methylbenzenesulfonamide
CID 58009712
N-[(3-chloro-2-methylphenyl)methyl]cyclohexanamine
CID 107096673
1-[(2-bromophenyl)methyl]-3-(3-chloro-2-methylphenyl)urea
CID 17379764
[(3-chloro-2-methylbenzoyl)amino]urea
CID 107100350
3-chloro-4-(3-chloro-2-methylphenyl)butan-2-one
CID 82054505
2-[(2-methyl-3-nitrophenyl)methylamino]ethylurea
CID 83113507

Frequently Asked Questions

What is the IUPAC name of (3-chloro-2-methylphenyl)methylurea?
The IUPAC name of (3-chloro-2-methylphenyl)methylurea (CID 118069885) is (3-chloro-2-methylphenyl)methylurea.
What is the SMILES notation for (3-chloro-2-methylphenyl)methylurea?
The canonical SMILES for (3-chloro-2-methylphenyl)methylurea is Cc1c(Cl)cccc1CNC(N)=O.
What is the InChIKey of (3-chloro-2-methylphenyl)methylurea?
The InChIKey is TXLOXIGSPCFSLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN2O/c1-6-7(5-12-9(11)13)3-2-4-8(6)10/h2-4H,5H2,1H3,(H3,11,12,13).
What are the key properties of (3-chloro-2-methylphenyl)methylurea?
(3-chloro-2-methylphenyl)methylurea has a molecular weight of 198.65 g/mol, XLogP of 1.82, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-2-methylphenyl)methylurea is sourced from PubChem (CID 118069885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).