1-benzyl-3-(3-chlorophenyl)-1-[5-(diethylamino)pentan-2-yl]urea

C23H32ClN3O — CID 42695687

IUPAC1-benzyl-3-(3-chlorophenyl)-1-[5-(diethylamino)pentan-2-yl]urea
SMILESCCN(CC)CCCC(C)N(Cc1ccccc1)C(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C23H32ClN3O/c1-4-26(5-2)16-10-11-19(3)27(18-20-12-7-6-8-13-20)23(28)25-22-15-9-14-21(24)17-22/h6-9,12-15,17,19H,4-5,10-11,16,18H2,1-3H3,(H,25,28)
InChIKeyRZUUVAPQKHSLIP-UHFFFAOYSA-N
MW401.98 g/mol
LogP5.88
Rot. Bonds10

About 1-benzyl-3-(3-chlorophenyl)-1-[5-(diethylamino)pentan-2-yl]urea

1-benzyl-3-(3-chlorophenyl)-1-[5-(diethylamino)pentan-2-yl]urea (PubChem CID 42695687) has the molecular formula C23H32ClN3O and a molecular weight of 401.98 g/mol. Its IUPAC name is 1-benzyl-3-(3-chlorophenyl)-1-[5-(diethylamino)pentan-2-yl]urea.

Molecular Properties

Compound Name1-benzyl-3-(3-chlorophenyl)-1-[5-(diethylamino)pentan-2-yl]urea
PubChem CID42695687
Molecular FormulaC23H32ClN3O
Molecular Weight401.98 g/mol
Exact Mass401.22
IUPAC Name1-benzyl-3-(3-chlorophenyl)-1-[5-(diethylamino)pentan-2-yl]urea
SMILESCCN(CC)CCCC(C)N(Cc1ccccc1)C(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C23H32ClN3O/c1-4-26(5-2)16-10-11-19(3)27(18-20-12-7-6-8-13-20)23(28)25-22-15-9-14-21(24)17-22/h6-9,12-15,17,19H,4-5,10-11,16,18H2,1-3H3,(H,25,28)
InChIKeyRZUUVAPQKHSLIP-UHFFFAOYSA-N
XLogP5.88
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.98
LogP ≤ 55.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-benzyl-3-(3,4-dichlorophenyl)-1-[5-(diethylamino)pentan-2-yl]urea
CID 42695686
1-[(4-chlorophenyl)methyl]-1-hexan-2-yl-3-phenylurea
CID 143030440
1-[[3-(4-chlorophenoxy)phenyl]methyl]-1-[5-(diethylamino)pentan-2-yl]-3-(4-ethylphenyl)urea
CID 42700392
3-(3-chlorophenyl)-1-(1-phenylethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]urea
CID 42696051
1-(3-chlorophenyl)-3-[4-(diethylamino)butyl]urea
CID 110446856
3-benzyl-1-[(4-tert-butylphenyl)methyl]-1-[5-(diethylamino)pentan-2-yl]urea
CID 42704635
3-(3-chlorophenyl)-1-propan-2-yl-1-(pyridin-3-ylmethyl)urea
CID 47065731
1-[(1-benzylpyrrol-2-yl)methyl]-3-(3-chlorophenyl)-1-propan-2-ylurea
CID 42762830
1-benzyl-3-phenyl-1-propan-2-ylurea;ethane
CID 160933231
[3-[[[(2S)-butan-2-yl]-[(3-chlorophenyl)carbamoyl]amino]methyl]phenyl] ethanesulfonate
CID 7361466
1-[5-(diethylamino)pentan-2-yl]-3-(2-methoxyphenyl)-1-[(4-phenylmethoxyphenyl)methyl]urea
CID 42700707
1-benzyl-3-(3-methylphenyl)-1-propan-2-ylurea
CID 51295493

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-(3-chlorophenyl)-1-[5-(diethylamino)pentan-2-yl]urea?
The IUPAC name of 1-benzyl-3-(3-chlorophenyl)-1-[5-(diethylamino)pentan-2-yl]urea (CID 42695687) is 1-benzyl-3-(3-chlorophenyl)-1-[5-(diethylamino)pentan-2-yl]urea.
What is the SMILES notation for 1-benzyl-3-(3-chlorophenyl)-1-[5-(diethylamino)pentan-2-yl]urea?
The canonical SMILES for 1-benzyl-3-(3-chlorophenyl)-1-[5-(diethylamino)pentan-2-yl]urea is CCN(CC)CCCC(C)N(Cc1ccccc1)C(=O)Nc1cccc(Cl)c1.
What is the InChIKey of 1-benzyl-3-(3-chlorophenyl)-1-[5-(diethylamino)pentan-2-yl]urea?
The InChIKey is RZUUVAPQKHSLIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32ClN3O/c1-4-26(5-2)16-10-11-19(3)27(18-20-12-7-6-8-13-20)23(28)25-22-15-9-14-21(24)17-22/h6-9,12-15,17,19H,4-5,10-11,16,18H2,1-3H3,(H,25,28).
What are the key properties of 1-benzyl-3-(3-chlorophenyl)-1-[5-(diethylamino)pentan-2-yl]urea?
1-benzyl-3-(3-chlorophenyl)-1-[5-(diethylamino)pentan-2-yl]urea has a molecular weight of 401.98 g/mol, XLogP of 5.88, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-(3-chlorophenyl)-1-[5-(diethylamino)pentan-2-yl]urea is sourced from PubChem (CID 42695687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).