[3-chloro-4-[(dimethylamino)methyl]phenyl]urea

C10H14ClN3O — CID 144820176

IUPAC[3-chloro-4-[(dimethylamino)methyl]phenyl]urea
SMILESCN(C)Cc1ccc(NC(N)=O)cc1Cl
InChIInChI=1S/C10H14ClN3O/c1-14(2)6-7-3-4-8(5-9(7)11)13-10(12)15/h3-5H,6H2,1-2H3,(H3,12,13,15)
InChIKeyTXIZQKUBXOJGLU-UHFFFAOYSA-N
MW227.70 g/mol
LogP1.89
Rot. Bonds3

About [3-chloro-4-[(dimethylamino)methyl]phenyl]urea

[3-chloro-4-[(dimethylamino)methyl]phenyl]urea (PubChem CID 144820176) has the molecular formula C10H14ClN3O and a molecular weight of 227.70 g/mol. Its IUPAC name is [3-chloro-4-[(dimethylamino)methyl]phenyl]urea.

Molecular Properties

Compound Name[3-chloro-4-[(dimethylamino)methyl]phenyl]urea
PubChem CID144820176
Molecular FormulaC10H14ClN3O
Molecular Weight227.70 g/mol
Exact Mass227.08
IUPAC Name[3-chloro-4-[(dimethylamino)methyl]phenyl]urea
SMILESCN(C)Cc1ccc(NC(N)=O)cc1Cl
InChIInChI=1S/C10H14ClN3O/c1-14(2)6-7-3-4-8(5-9(7)11)13-10(12)15/h3-5H,6H2,1-2H3,(H3,12,13,15)
InChIKeyTXIZQKUBXOJGLU-UHFFFAOYSA-N
XLogP1.89
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.70
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-chloro-4-[(dimethylamino)methyl]phenyl]-3-(3-hydroxyphenyl)propanamide
CID 166262978
N-[4-[(dimethylamino)methyl]-3-hydroxyphenyl]acetamide
CID 11735930
3-chloro-4-[(dimethylamino)methyl]phenol
CID 58911429
[3-chloro-4-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]phenyl]urea
CID 53463444
3-chloro-4-[(dimethylamino)methyl]aniline;dihydrochloride
CID 52983627
4-(carbamoylamino)-N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-methylbenzamide
CID 30091289
3-(3,4-dichlorophenyl)-1,1-dimethylurea;1,1-dimethylurea
CID 175137173
1-(3-amino-4-ethylphenyl)-3-(3,4-dichlorophenyl)urea
CID 43551526
4-(carbamoylamino)-N-[(3,4-dichlorophenyl)methyl]-N-methylbenzamide
CID 26069791
[3-chloro-4-(hydroxymethyl)phenyl]carbamic acid
CID 18621844
4-(carbamoylamino)-N-[(2,3-dichlorophenyl)methyl]-N-methylbenzamide
CID 38047200
(3-methyl-4-tridecylphenyl)urea
CID 59703142

Frequently Asked Questions

What is the IUPAC name of [3-chloro-4-[(dimethylamino)methyl]phenyl]urea?
The IUPAC name of [3-chloro-4-[(dimethylamino)methyl]phenyl]urea (CID 144820176) is [3-chloro-4-[(dimethylamino)methyl]phenyl]urea.
What is the SMILES notation for [3-chloro-4-[(dimethylamino)methyl]phenyl]urea?
The canonical SMILES for [3-chloro-4-[(dimethylamino)methyl]phenyl]urea is CN(C)Cc1ccc(NC(N)=O)cc1Cl.
What is the InChIKey of [3-chloro-4-[(dimethylamino)methyl]phenyl]urea?
The InChIKey is TXIZQKUBXOJGLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3O/c1-14(2)6-7-3-4-8(5-9(7)11)13-10(12)15/h3-5H,6H2,1-2H3,(H3,12,13,15).
What are the key properties of [3-chloro-4-[(dimethylamino)methyl]phenyl]urea?
[3-chloro-4-[(dimethylamino)methyl]phenyl]urea has a molecular weight of 227.70 g/mol, XLogP of 1.89, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-chloro-4-[(dimethylamino)methyl]phenyl]urea is sourced from PubChem (CID 144820176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).