5-phenylpentyl N-[(4-chlorophenyl)methyl]carbamate

C19H22ClNO2 — CID 6711074

IUPAC5-phenylpentyl N-[(4-chlorophenyl)methyl]carbamate
SMILESO=C(NCc1ccc(Cl)cc1)OCCCCCc1ccccc1
InChIInChI=1S/C19H22ClNO2/c20-18-12-10-17(11-13-18)15-21-19(22)23-14-6-2-5-9-16-7-3-1-4-8-16/h1,3-4,7-8,10-13H,2,5-6,9,14-15H2,(H,21,22)
InChIKeyJROGDAKEFMSGCI-UHFFFAOYSA-N
MW331.84 g/mol
LogP4.98
Rot. Bonds8

About 5-phenylpentyl N-[(4-chlorophenyl)methyl]carbamate

5-phenylpentyl N-[(4-chlorophenyl)methyl]carbamate (PubChem CID 6711074) has the molecular formula C19H22ClNO2 and a molecular weight of 331.84 g/mol. Its IUPAC name is 5-phenylpentyl N-[(4-chlorophenyl)methyl]carbamate.

Molecular Properties

Compound Name5-phenylpentyl N-[(4-chlorophenyl)methyl]carbamate
PubChem CID6711074
Molecular FormulaC19H22ClNO2
Molecular Weight331.84 g/mol
Exact Mass331.13
IUPAC Name5-phenylpentyl N-[(4-chlorophenyl)methyl]carbamate
SMILESO=C(NCc1ccc(Cl)cc1)OCCCCCc1ccccc1
InChIInChI=1S/C19H22ClNO2/c20-18-12-10-17(11-13-18)15-21-19(22)23-14-6-2-5-9-16-7-3-1-4-8-16/h1,3-4,7-8,10-13H,2,5-6,9,14-15H2,(H,21,22)
InChIKeyJROGDAKEFMSGCI-UHFFFAOYSA-N
XLogP4.98
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.84
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

decyl N-(4-phenylbutyl)carbamate
CID 101211373
6-(4-chlorophenyl)hexyl acetate
CID 139787467
3-pyridin-3-ylpropyl N-benzylcarbamate
CID 10333345
butyl N-(5-phenylpentyl)carbamate
CID 69404409
2-phenylethyl N-(4-phenylbutyl)carbamate
CID 23058488
3-(3-phenylpropanoyloxy)propyl 8-[3-(benzylcarbamoyloxy)propoxycarbonylamino]octanoate
CID 161255572
8-phenyloctyl carbamate
CID 67180735
3-phenylpropyl 4-chlorobenzoate
CID 576426
3-[[3-[[3-(3-phenylpropanoyloxy)propoxycarbonylamino]methyl]phenyl]methylcarbamoyloxy]propyl 3-phenylpropanoate
CID 159969461
[2-(benzylamino)-2-oxoethyl] 2-(4-chlorophenyl)acetate
CID 2080167
8-piperidin-1-yloctyl N-(4-phenylbutyl)carbamate
CID 11825276
5-piperidin-1-ylpentyl N-(4-phenylbutyl)carbamate
CID 10882540

Frequently Asked Questions

What is the IUPAC name of 5-phenylpentyl N-[(4-chlorophenyl)methyl]carbamate?
The IUPAC name of 5-phenylpentyl N-[(4-chlorophenyl)methyl]carbamate (CID 6711074) is 5-phenylpentyl N-[(4-chlorophenyl)methyl]carbamate.
What is the SMILES notation for 5-phenylpentyl N-[(4-chlorophenyl)methyl]carbamate?
The canonical SMILES for 5-phenylpentyl N-[(4-chlorophenyl)methyl]carbamate is O=C(NCc1ccc(Cl)cc1)OCCCCCc1ccccc1.
What is the InChIKey of 5-phenylpentyl N-[(4-chlorophenyl)methyl]carbamate?
The InChIKey is JROGDAKEFMSGCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClNO2/c20-18-12-10-17(11-13-18)15-21-19(22)23-14-6-2-5-9-16-7-3-1-4-8-16/h1,3-4,7-8,10-13H,2,5-6,9,14-15H2,(H,21,22).
What are the key properties of 5-phenylpentyl N-[(4-chlorophenyl)methyl]carbamate?
5-phenylpentyl N-[(4-chlorophenyl)methyl]carbamate has a molecular weight of 331.84 g/mol, XLogP of 4.98, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenylpentyl N-[(4-chlorophenyl)methyl]carbamate is sourced from PubChem (CID 6711074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).