1-[3-(aminomethyl)phenyl]-3-(3,4-dichlorophenyl)urea

C14H13Cl2N3O — CID 63254565

IUPAC1-[3-(aminomethyl)phenyl]-3-(3,4-dichlorophenyl)urea
SMILESNCc1cccc(NC(=O)Nc2ccc(Cl)c(Cl)c2)c1
InChIInChI=1S/C14H13Cl2N3O/c15-12-5-4-11(7-13(12)16)19-14(20)18-10-3-1-2-9(6-10)8-17/h1-7H,8,17H2,(H2,18,19,20)
InChIKeyTVNWIYIHFHUGDY-UHFFFAOYSA-N
MW310.18 g/mol
LogP4.10
Rot. Bonds3

About 1-[3-(aminomethyl)phenyl]-3-(3,4-dichlorophenyl)urea

1-[3-(aminomethyl)phenyl]-3-(3,4-dichlorophenyl)urea (PubChem CID 63254565) has the molecular formula C14H13Cl2N3O and a molecular weight of 310.18 g/mol. Its IUPAC name is 1-[3-(aminomethyl)phenyl]-3-(3,4-dichlorophenyl)urea.

Molecular Properties

Compound Name1-[3-(aminomethyl)phenyl]-3-(3,4-dichlorophenyl)urea
PubChem CID63254565
Molecular FormulaC14H13Cl2N3O
Molecular Weight310.18 g/mol
Exact Mass309.04
IUPAC Name1-[3-(aminomethyl)phenyl]-3-(3,4-dichlorophenyl)urea
SMILESNCc1cccc(NC(=O)Nc2ccc(Cl)c(Cl)c2)c1
InChIInChI=1S/C14H13Cl2N3O/c15-12-5-4-11(7-13(12)16)19-14(20)18-10-3-1-2-9(6-10)8-17/h1-7H,8,17H2,(H2,18,19,20)
InChIKeyTVNWIYIHFHUGDY-UHFFFAOYSA-N
XLogP4.10
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.18
LogP ≤ 54.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-(aminomethyl)phenyl]-3-(3-chloro-4-methylphenyl)urea
CID 63254609
1-[3-(aminomethyl)phenyl]-3-(3,5-dichlorophenyl)urea
CID 107654075
1-[3-(aminomethyl)phenyl]-3-(2-chlorophenyl)urea
CID 63254522
1-[3-(aminomethyl)phenyl]-3-phenylurea;hydrochloride
CID 47003161
1-[3-(aminomethyl)phenyl]-3-(4-methylphenyl)urea
CID 43245991
N-[3-(aminomethyl)phenyl]acetamide;hydrochloride
CID 2760945
4-(aminomethyl)-N-(3,4-dichlorophenyl)benzamide
CID 24699191
1-[3-(aminomethyl)phenyl]-3-(1H-pyrazol-4-yl)urea
CID 43540324
1-[3-(aminomethyl)phenyl]-3-(dimethylamino)urea
CID 83017155
1-(4-amino-3-chlorophenyl)-3-(3,4-dichlorophenyl)urea
CID 82861820
1-(3,4-dichlorophenyl)-3-[[3-(hydroxymethyl)phenyl]methyl]urea
CID 63312064
1-(3,4-dichlorophenyl)-3-(4-hydroxyphenyl)urea
CID 639709

Frequently Asked Questions

What is the IUPAC name of 1-[3-(aminomethyl)phenyl]-3-(3,4-dichlorophenyl)urea?
The IUPAC name of 1-[3-(aminomethyl)phenyl]-3-(3,4-dichlorophenyl)urea (CID 63254565) is 1-[3-(aminomethyl)phenyl]-3-(3,4-dichlorophenyl)urea.
What is the SMILES notation for 1-[3-(aminomethyl)phenyl]-3-(3,4-dichlorophenyl)urea?
The canonical SMILES for 1-[3-(aminomethyl)phenyl]-3-(3,4-dichlorophenyl)urea is NCc1cccc(NC(=O)Nc2ccc(Cl)c(Cl)c2)c1.
What is the InChIKey of 1-[3-(aminomethyl)phenyl]-3-(3,4-dichlorophenyl)urea?
The InChIKey is TVNWIYIHFHUGDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl2N3O/c15-12-5-4-11(7-13(12)16)19-14(20)18-10-3-1-2-9(6-10)8-17/h1-7H,8,17H2,(H2,18,19,20).
What are the key properties of 1-[3-(aminomethyl)phenyl]-3-(3,4-dichlorophenyl)urea?
1-[3-(aminomethyl)phenyl]-3-(3,4-dichlorophenyl)urea has a molecular weight of 310.18 g/mol, XLogP of 4.10, 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-(3,4-dichlorophenyl)urea is sourced from PubChem (CID 63254565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).