1-[3-(aminomethyl)phenyl]-3-(2-chlorophenyl)urea

C14H14ClN3O — CID 63254522

IUPAC1-[3-(aminomethyl)phenyl]-3-(2-chlorophenyl)urea
SMILESNCc1cccc(NC(=O)Nc2ccccc2Cl)c1
InChIInChI=1S/C14H14ClN3O/c15-12-6-1-2-7-13(12)18-14(19)17-11-5-3-4-10(8-11)9-16/h1-8H,9,16H2,(H2,17,18,19)
InChIKeyLCZFNOHRZALVOM-UHFFFAOYSA-N
MW275.74 g/mol
LogP3.44
Rot. Bonds3

About 1-[3-(aminomethyl)phenyl]-3-(2-chlorophenyl)urea

1-[3-(aminomethyl)phenyl]-3-(2-chlorophenyl)urea (PubChem CID 63254522) has the molecular formula C14H14ClN3O and a molecular weight of 275.74 g/mol. Its IUPAC name is 1-[3-(aminomethyl)phenyl]-3-(2-chlorophenyl)urea.

Molecular Properties

Compound Name1-[3-(aminomethyl)phenyl]-3-(2-chlorophenyl)urea
PubChem CID63254522
Molecular FormulaC14H14ClN3O
Molecular Weight275.74 g/mol
Exact Mass275.08
IUPAC Name1-[3-(aminomethyl)phenyl]-3-(2-chlorophenyl)urea
SMILESNCc1cccc(NC(=O)Nc2ccccc2Cl)c1
InChIInChI=1S/C14H14ClN3O/c15-12-6-1-2-7-13(12)18-14(19)17-11-5-3-4-10(8-11)9-16/h1-8H,9,16H2,(H2,17,18,19)
InChIKeyLCZFNOHRZALVOM-UHFFFAOYSA-N
XLogP3.44
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.74
LogP ≤ 53.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-(aminomethyl)phenyl]-3-(3,5-dichlorophenyl)urea
CID 107654075
1-[3-(aminomethyl)phenyl]-3-(3,4-dichlorophenyl)urea
CID 63254565
1-[3-(aminomethyl)phenyl]-3-phenylurea;hydrochloride
CID 47003161
1-[3-(aminomethyl)phenyl]-3-(3-chloro-4-methylphenyl)urea
CID 63254609
1-(3-bromophenyl)-3-(2-chlorophenyl)urea
CID 43398005
1-[2-(aminomethyl)phenyl]-3-(3-chlorophenyl)urea
CID 64896037
1-[3-(aminomethyl)phenyl]-3-(4-methylphenyl)urea
CID 43245991
methyl 3-[(2-chlorophenyl)carbamoylamino]benzoate
CID 43404884
1-[3-(aminomethyl)phenyl]-3-(dimethylamino)urea
CID 83017155
N-[3-(aminomethyl)phenyl]acetamide;hydrochloride
CID 2760945
(2S)-2-amino-N-[3-[[(2-chlorophenyl)carbamoylamino]methyl]phenyl]-4-methylpentanamide
CID 119805291
3-[3-(aminomethyl)phenoxy]-N-(2-chlorophenyl)propanamide
CID 106485193

Frequently Asked Questions

What is the IUPAC name of 1-[3-(aminomethyl)phenyl]-3-(2-chlorophenyl)urea?
The IUPAC name of 1-[3-(aminomethyl)phenyl]-3-(2-chlorophenyl)urea (CID 63254522) is 1-[3-(aminomethyl)phenyl]-3-(2-chlorophenyl)urea.
What is the SMILES notation for 1-[3-(aminomethyl)phenyl]-3-(2-chlorophenyl)urea?
The canonical SMILES for 1-[3-(aminomethyl)phenyl]-3-(2-chlorophenyl)urea is NCc1cccc(NC(=O)Nc2ccccc2Cl)c1.
What is the InChIKey of 1-[3-(aminomethyl)phenyl]-3-(2-chlorophenyl)urea?
The InChIKey is LCZFNOHRZALVOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3O/c15-12-6-1-2-7-13(12)18-14(19)17-11-5-3-4-10(8-11)9-16/h1-8H,9,16H2,(H2,17,18,19).
What are the key properties of 1-[3-(aminomethyl)phenyl]-3-(2-chlorophenyl)urea?
1-[3-(aminomethyl)phenyl]-3-(2-chlorophenyl)urea has a molecular weight of 275.74 g/mol, XLogP of 3.44, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(aminomethyl)phenyl]-3-(2-chlorophenyl)urea is sourced from PubChem (CID 63254522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).