propyl N-[2-[[2-[(4-chlorophenyl)methylidene]cyclopentylidene]amino]phenyl]carbamate

C22H23ClN2O2 — CID 3338717

IUPACpropyl N-[2-[[2-[(4-chlorophenyl)methylidene]cyclopentylidene]amino]phenyl]carbamate
SMILESCCCOC(=O)Nc1ccccc1/N=C1\CCCC1=Cc1ccc(Cl)cc1
InChIInChI=1S/C22H23ClN2O2/c1-2-14-27-22(26)25-21-8-4-3-7-20(21)24-19-9-5-6-17(19)15-16-10-12-18(23)13-11-16/h3-4,7-8,10-13,15H,2,5-6,9,14H2,1H3,(H,25,26)/b17-15?,24-19+
InChIKeyXWQOGTZBSYDUHU-KEOIFMLRSA-N
MW382.89 g/mol
LogP6.64
Rot. Bonds5

About propyl N-[2-[[2-[(4-chlorophenyl)methylidene]cyclopentylidene]amino]phenyl]carbamate

propyl N-[2-[[2-[(4-chlorophenyl)methylidene]cyclopentylidene]amino]phenyl]carbamate (PubChem CID 3338717) has the molecular formula C22H23ClN2O2 and a molecular weight of 382.89 g/mol. Its IUPAC name is propyl N-[2-[[2-[(4-chlorophenyl)methylidene]cyclopentylidene]amino]phenyl]carbamate.

Molecular Properties

Compound Namepropyl N-[2-[[2-[(4-chlorophenyl)methylidene]cyclopentylidene]amino]phenyl]carbamate
PubChem CID3338717
Molecular FormulaC22H23ClN2O2
Molecular Weight382.89 g/mol
Exact Mass382.14
IUPAC Namepropyl N-[2-[[2-[(4-chlorophenyl)methylidene]cyclopentylidene]amino]phenyl]carbamate
SMILESCCCOC(=O)Nc1ccccc1/N=C1\CCCC1=Cc1ccc(Cl)cc1
InChIInChI=1S/C22H23ClN2O2/c1-2-14-27-22(26)25-21-8-4-3-7-20(21)24-19-9-5-6-17(19)15-16-10-12-18(23)13-11-16/h3-4,7-8,10-13,15H,2,5-6,9,14H2,1H3,(H,25,26)/b17-15?,24-19+
InChIKeyXWQOGTZBSYDUHU-KEOIFMLRSA-N
XLogP6.64
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.89
LogP ≤ 56.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

propyl N-[2-[(2-benzylidenecyclopentylidene)amino]phenyl]carbamate;hydrochloride
CID 73243186
(NZ)-N-[2-[(4-chlorophenyl)methylidene]cyclohexylidene]hydroxylamine
CID 5464792
[(Z)-[(2E)-2-[(4-chlorophenyl)methylidene]cyclohexylidene]amino] cyclopropanecarboxylate
CID 6339504
propyl 3-(4-chlorophenyl)prop-2-enoate
CID 73010685
N-(2-aminophenyl)-4-[[(3E)-3-[(4-chlorophenyl)methylidene]-2-oxopiperidin-1-yl]methyl]benzamide
CID 141437009
[(E)-[(2Z)-2-benzylidenecyclopentylidene]amino] 4-methylbenzoate
CID 20843761
2-ethyl-6-(propoxycarbonylamino)benzoic acid
CID 19845860
2,7-bis[(4-butoxyphenyl)methylidene]cycloheptan-1-one
CID 5189711
ethyl 2-[(3E,5E)-3,5-bis[(4-chlorophenyl)methylidene]-4-oxocyclohexylidene]acetate
CID 11004453
2,6-bis[(4-hexoxyphenyl)methylidene]cyclohexan-1-one
CID 69497980
2,6-bis[(4-ethoxyphenyl)methylidene]cyclohexan-1-one
CID 5183366
methyl (2E)-2-[(2Z)-2-benzylidenecyclohexylidene]acetate
CID 101066852

Frequently Asked Questions

What is the IUPAC name of propyl N-[2-[[2-[(4-chlorophenyl)methylidene]cyclopentylidene]amino]phenyl]carbamate?
The IUPAC name of propyl N-[2-[[2-[(4-chlorophenyl)methylidene]cyclopentylidene]amino]phenyl]carbamate (CID 3338717) is propyl N-[2-[[2-[(4-chlorophenyl)methylidene]cyclopentylidene]amino]phenyl]carbamate.
What is the SMILES notation for propyl N-[2-[[2-[(4-chlorophenyl)methylidene]cyclopentylidene]amino]phenyl]carbamate?
The canonical SMILES for propyl N-[2-[[2-[(4-chlorophenyl)methylidene]cyclopentylidene]amino]phenyl]carbamate is CCCOC(=O)Nc1ccccc1/N=C1\CCCC1=Cc1ccc(Cl)cc1.
What is the InChIKey of propyl N-[2-[[2-[(4-chlorophenyl)methylidene]cyclopentylidene]amino]phenyl]carbamate?
The InChIKey is XWQOGTZBSYDUHU-KEOIFMLRSA-N. The full InChI is InChI=1S/C22H23ClN2O2/c1-2-14-27-22(26)25-21-8-4-3-7-20(21)24-19-9-5-6-17(19)15-16-10-12-18(23)13-11-16/h3-4,7-8,10-13,15H,2,5-6,9,14H2,1H3,(H,25,26)/b17-15?,24-19+.
What are the key properties of propyl N-[2-[[2-[(4-chlorophenyl)methylidene]cyclopentylidene]amino]phenyl]carbamate?
propyl N-[2-[[2-[(4-chlorophenyl)methylidene]cyclopentylidene]amino]phenyl]carbamate has a molecular weight of 382.89 g/mol, XLogP of 6.64, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propyl N-[2-[[2-[(4-chlorophenyl)methylidene]cyclopentylidene]amino]phenyl]carbamate is sourced from PubChem (CID 3338717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).