1-[4-(aminomethyl)phenyl]-3-[(4-chlorophenyl)methyl]urea;hydrochloride

C15H17Cl2N3O — CID 166173336

IUPAC1-[4-(aminomethyl)phenyl]-3-[(4-chlorophenyl)methyl]urea;hydrochloride
SMILESCl.NCc1ccc(NC(=O)NCc2ccc(Cl)cc2)cc1
InChIInChI=1S/C15H16ClN3O.ClH/c16-13-5-1-12(2-6-13)10-18-15(20)19-14-7-3-11(9-17)4-8-14;/h1-8H,9-10,17H2,(H2,18,19,20);1H
InChIKeyCVNXFRBRHVANKV-UHFFFAOYSA-N
MW326.23 g/mol
LogP3.54
Rot. Bonds4

About 1-[4-(aminomethyl)phenyl]-3-[(4-chlorophenyl)methyl]urea;hydrochloride

1-[4-(aminomethyl)phenyl]-3-[(4-chlorophenyl)methyl]urea;hydrochloride (PubChem CID 166173336) has the molecular formula C15H17Cl2N3O and a molecular weight of 326.23 g/mol. Its IUPAC name is 1-[4-(aminomethyl)phenyl]-3-[(4-chlorophenyl)methyl]urea;hydrochloride.

Molecular Properties

Compound Name1-[4-(aminomethyl)phenyl]-3-[(4-chlorophenyl)methyl]urea;hydrochloride
PubChem CID166173336
Molecular FormulaC15H17Cl2N3O
Molecular Weight326.23 g/mol
Exact Mass325.07
IUPAC Name1-[4-(aminomethyl)phenyl]-3-[(4-chlorophenyl)methyl]urea;hydrochloride
SMILESCl.NCc1ccc(NC(=O)NCc2ccc(Cl)cc2)cc1
InChIInChI=1S/C15H16ClN3O.ClH/c16-13-5-1-12(2-6-13)10-18-15(20)19-14-7-3-11(9-17)4-8-14;/h1-8H,9-10,17H2,(H2,18,19,20);1H
InChIKeyCVNXFRBRHVANKV-UHFFFAOYSA-N
XLogP3.54
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.23
LogP ≤ 53.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(4-bromophenyl)methyl]-3-(4-chlorophenyl)urea
CID 60968991
1-[(4-chlorophenyl)methyl]-3-(4-methylphenyl)urea
CID 2982210
1-(4-chlorophenyl)-3-[(4-propan-2-ylphenyl)methyl]urea
CID 172617530
1-(4-tert-butylphenyl)-3-[(4-chlorophenyl)methyl]urea
CID 108884751
1-[4-(1-aminoethyl)phenyl]-3-[(4-chlorophenyl)methyl]urea
CID 61340890
1-amino-3-[(4-chlorophenyl)methyl]urea
CID 43163863
1-(4-amino-3-chlorophenyl)-3-[(4-chlorophenyl)methyl]urea
CID 108899226
N-[3-[(4-chlorophenyl)methylcarbamoylamino]phenyl]acetamide
CID 108884075
1-(4-chlorophenyl)-3-[[4-(trifluoromethylsulfanyl)phenyl]methyl]urea
CID 172617529
1-[(4-chlorophenyl)methyl]-3-[4-[(1S)-1-methylsulfanylethyl]phenyl]urea
CID 166706416
1-(4-chlorophenyl)-3-[(3-methylphenyl)methyl]urea
CID 47159445
1-[(4-chlorophenyl)methyl]-3-(3-iodophenyl)urea
CID 5171614

Frequently Asked Questions

What is the IUPAC name of 1-[4-(aminomethyl)phenyl]-3-[(4-chlorophenyl)methyl]urea;hydrochloride?
The IUPAC name of 1-[4-(aminomethyl)phenyl]-3-[(4-chlorophenyl)methyl]urea;hydrochloride (CID 166173336) is 1-[4-(aminomethyl)phenyl]-3-[(4-chlorophenyl)methyl]urea;hydrochloride.
What is the SMILES notation for 1-[4-(aminomethyl)phenyl]-3-[(4-chlorophenyl)methyl]urea;hydrochloride?
The canonical SMILES for 1-[4-(aminomethyl)phenyl]-3-[(4-chlorophenyl)methyl]urea;hydrochloride is Cl.NCc1ccc(NC(=O)NCc2ccc(Cl)cc2)cc1.
What is the InChIKey of 1-[4-(aminomethyl)phenyl]-3-[(4-chlorophenyl)methyl]urea;hydrochloride?
The InChIKey is CVNXFRBRHVANKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O.ClH/c16-13-5-1-12(2-6-13)10-18-15(20)19-14-7-3-11(9-17)4-8-14;/h1-8H,9-10,17H2,(H2,18,19,20);1H.
What are the key properties of 1-[4-(aminomethyl)phenyl]-3-[(4-chlorophenyl)methyl]urea;hydrochloride?
1-[4-(aminomethyl)phenyl]-3-[(4-chlorophenyl)methyl]urea;hydrochloride has a molecular weight of 326.23 g/mol, XLogP of 3.54, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(aminomethyl)phenyl]-3-[(4-chlorophenyl)methyl]urea;hydrochloride is sourced from PubChem (CID 166173336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).