1-[4-(1-aminoethyl)phenyl]-3-(4-chlorophenyl)urea

C15H16ClN3O — CID 61342206

IUPAC1-[4-(1-aminoethyl)phenyl]-3-(4-chlorophenyl)urea
SMILESCC(N)c1ccc(NC(=O)Nc2ccc(Cl)cc2)cc1
InChIInChI=1S/C15H16ClN3O/c1-10(17)11-2-6-13(7-3-11)18-15(20)19-14-8-4-12(16)5-9-14/h2-10H,17H2,1H3,(H2,18,19,20)
InChIKeyNVKOPOLLQXICHM-UHFFFAOYSA-N
MW289.77 g/mol
LogP4.00
Rot. Bonds3

About 1-[4-(1-aminoethyl)phenyl]-3-(4-chlorophenyl)urea

1-[4-(1-aminoethyl)phenyl]-3-(4-chlorophenyl)urea (PubChem CID 61342206) has the molecular formula C15H16ClN3O and a molecular weight of 289.77 g/mol. Its IUPAC name is 1-[4-(1-aminoethyl)phenyl]-3-(4-chlorophenyl)urea.

Molecular Properties

Compound Name1-[4-(1-aminoethyl)phenyl]-3-(4-chlorophenyl)urea
PubChem CID61342206
Molecular FormulaC15H16ClN3O
Molecular Weight289.77 g/mol
Exact Mass289.10
IUPAC Name1-[4-(1-aminoethyl)phenyl]-3-(4-chlorophenyl)urea
SMILESCC(N)c1ccc(NC(=O)Nc2ccc(Cl)cc2)cc1
InChIInChI=1S/C15H16ClN3O/c1-10(17)11-2-6-13(7-3-11)18-15(20)19-14-8-4-12(16)5-9-14/h2-10H,17H2,1H3,(H2,18,19,20)
InChIKeyNVKOPOLLQXICHM-UHFFFAOYSA-N
XLogP4.00
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.77
LogP ≤ 54.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(1-aminoethyl)phenyl]-3-[(4-chlorophenyl)methyl]urea
CID 61340890
1-[4-(1-aminoethyl)phenyl]-3-(4-bromophenyl)urea
CID 61340372
1-[4-(1-aminoethyl)phenyl]-3-(3-chloro-5-fluorophenyl)urea
CID 107370312
1-[4-(1-aminoethyl)phenyl]-3-propan-2-ylurea
CID 43208686
1-[4-[(1S)-1-amino-2-hydroxyethyl]phenyl]-3-(4-chlorophenyl)urea
CID 124565420
1-[4-(1-aminoethyl)phenyl]-3-(2,5-difluorophenyl)urea
CID 61340178
N-[4-(1-aminoethyl)phenyl]-2,4-dichlorobenzamide
CID 43321115
4-[(4-chlorophenyl)carbamoylamino]-N-propan-2-ylbenzamide
CID 17180574
(2R)-2-amino-N-(4-chlorophenyl)propanamide
CID 7183165
1-[3-(1-aminoethyl)phenyl]-3-(3-chloro-4-fluorophenyl)urea
CID 61340020
1-(2-aminobutyl)-3-(4-chlorophenyl)urea
CID 63733055
1-[4-(1-aminoethyl)phenyl]-3-(2,2,3,3-tetramethylcyclopropyl)urea
CID 79357824

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-aminoethyl)phenyl]-3-(4-chlorophenyl)urea?
The IUPAC name of 1-[4-(1-aminoethyl)phenyl]-3-(4-chlorophenyl)urea (CID 61342206) is 1-[4-(1-aminoethyl)phenyl]-3-(4-chlorophenyl)urea.
What is the SMILES notation for 1-[4-(1-aminoethyl)phenyl]-3-(4-chlorophenyl)urea?
The canonical SMILES for 1-[4-(1-aminoethyl)phenyl]-3-(4-chlorophenyl)urea is CC(N)c1ccc(NC(=O)Nc2ccc(Cl)cc2)cc1.
What is the InChIKey of 1-[4-(1-aminoethyl)phenyl]-3-(4-chlorophenyl)urea?
The InChIKey is NVKOPOLLQXICHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O/c1-10(17)11-2-6-13(7-3-11)18-15(20)19-14-8-4-12(16)5-9-14/h2-10H,17H2,1H3,(H2,18,19,20).
What are the key properties of 1-[4-(1-aminoethyl)phenyl]-3-(4-chlorophenyl)urea?
1-[4-(1-aminoethyl)phenyl]-3-(4-chlorophenyl)urea has a molecular weight of 289.77 g/mol, XLogP of 4.00, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1-aminoethyl)phenyl]-3-(4-chlorophenyl)urea is sourced from PubChem (CID 61342206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).