(Z)-2-cyano-N-cyclopentyl-3-[4-[(3,4-dichlorophenyl)methoxy]phenyl]prop-2-enamide

C22H20Cl2N2O2 — CID 17278002

IUPAC(Z)-2-cyano-N-cyclopentyl-3-[4-[(3,4-dichlorophenyl)methoxy]phenyl]prop-2-enamide
SMILESN#C/C(=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1)C(=O)NC1CCCC1
InChIInChI=1S/C22H20Cl2N2O2/c23-20-10-7-16(12-21(20)24)14-28-19-8-5-15(6-9-19)11-17(13-25)22(27)26-18-3-1-2-4-18/h5-12,18H,1-4,14H2,(H,26,27)/b17-11-
InChIKeyINXSWVUHCPXFSM-BOPFTXTBSA-N
MW415.32 g/mol
LogP5.54
Rot. Bonds6

About (Z)-2-cyano-N-cyclopentyl-3-[4-[(3,4-dichlorophenyl)methoxy]phenyl]prop-2-enamide

(Z)-2-cyano-N-cyclopentyl-3-[4-[(3,4-dichlorophenyl)methoxy]phenyl]prop-2-enamide (PubChem CID 17278002) has the molecular formula C22H20Cl2N2O2 and a molecular weight of 415.32 g/mol. Its IUPAC name is (Z)-2-cyano-N-cyclopentyl-3-[4-[(3,4-dichlorophenyl)methoxy]phenyl]prop-2-enamide.

Molecular Properties

Compound Name(Z)-2-cyano-N-cyclopentyl-3-[4-[(3,4-dichlorophenyl)methoxy]phenyl]prop-2-enamide
PubChem CID17278002
Molecular FormulaC22H20Cl2N2O2
Molecular Weight415.32 g/mol
Exact Mass414.09
IUPAC Name(Z)-2-cyano-N-cyclopentyl-3-[4-[(3,4-dichlorophenyl)methoxy]phenyl]prop-2-enamide
SMILESN#C/C(=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1)C(=O)NC1CCCC1
InChIInChI=1S/C22H20Cl2N2O2/c23-20-10-7-16(12-21(20)24)14-28-19-8-5-15(6-9-19)11-17(13-25)22(27)26-18-3-1-2-4-18/h5-12,18H,1-4,14H2,(H,26,27)/b17-11-
InChIKeyINXSWVUHCPXFSM-BOPFTXTBSA-N
XLogP5.54
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.32
LogP ≤ 55.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(Z)-2-cyano-N-cyclopentyl-3-[3,5-dibromo-4-[(3,4-dichlorophenyl)methoxy]phenyl]prop-2-enamide
CID 126198645
(Z)-N-carbamoyl-2-cyano-3-[4-[(3,4-dichlorophenyl)methoxy]phenyl]prop-2-enamide
CID 126250966
(Z)-2-cyano-3-[4-[(3,4-dichlorophenyl)methoxy]phenyl]-N-(oxolan-2-ylmethyl)prop-2-enamide
CID 17278597
2-cyano-N-cyclohexyl-3-[4-[(3-fluorophenyl)methoxy]phenyl]prop-2-enamide
CID 5138750
(E)-2-cyano-3-[4-[(3,4-dichlorophenyl)methoxy]phenyl]-N-(2-iodophenyl)prop-2-enamide
CID 2371140
2-cyano-N-cyclopentyl-3-(4-propoxyphenyl)prop-2-enamide
CID 5123323
(Z)-3-(4-butoxyphenyl)-2-cyano-N-cyclohexylprop-2-enamide
CID 19175534
(Z)-3-[3-bromo-5-chloro-4-[(4-fluorophenyl)methoxy]phenyl]-2-cyano-N-cyclopentylprop-2-enamide
CID 126197264
(E)-3-[4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]-2-cyano-N-cyclohexylprop-2-enamide
CID 6050634
(Z)-2-cyano-N-cyclopentyl-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 7258087
methyl 4-[(E)-2-cyano-3-(cyclopentylamino)-3-oxoprop-1-enyl]benzoate
CID 17373364
(Z)-3-[4-[(4-bromophenyl)methoxy]-3-chloro-5-methoxyphenyl]-2-cyano-N-cyclopentylprop-2-enamide
CID 126196431

Frequently Asked Questions

What is the IUPAC name of (Z)-2-cyano-N-cyclopentyl-3-[4-[(3,4-dichlorophenyl)methoxy]phenyl]prop-2-enamide?
The IUPAC name of (Z)-2-cyano-N-cyclopentyl-3-[4-[(3,4-dichlorophenyl)methoxy]phenyl]prop-2-enamide (CID 17278002) is (Z)-2-cyano-N-cyclopentyl-3-[4-[(3,4-dichlorophenyl)methoxy]phenyl]prop-2-enamide.
What is the SMILES notation for (Z)-2-cyano-N-cyclopentyl-3-[4-[(3,4-dichlorophenyl)methoxy]phenyl]prop-2-enamide?
The canonical SMILES for (Z)-2-cyano-N-cyclopentyl-3-[4-[(3,4-dichlorophenyl)methoxy]phenyl]prop-2-enamide is N#C/C(=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1)C(=O)NC1CCCC1.
What is the InChIKey of (Z)-2-cyano-N-cyclopentyl-3-[4-[(3,4-dichlorophenyl)methoxy]phenyl]prop-2-enamide?
The InChIKey is INXSWVUHCPXFSM-BOPFTXTBSA-N. The full InChI is InChI=1S/C22H20Cl2N2O2/c23-20-10-7-16(12-21(20)24)14-28-19-8-5-15(6-9-19)11-17(13-25)22(27)26-18-3-1-2-4-18/h5-12,18H,1-4,14H2,(H,26,27)/b17-11-.
What are the key properties of (Z)-2-cyano-N-cyclopentyl-3-[4-[(3,4-dichlorophenyl)methoxy]phenyl]prop-2-enamide?
(Z)-2-cyano-N-cyclopentyl-3-[4-[(3,4-dichlorophenyl)methoxy]phenyl]prop-2-enamide has a molecular weight of 415.32 g/mol, XLogP of 5.54, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-cyano-N-cyclopentyl-3-[4-[(3,4-dichlorophenyl)methoxy]phenyl]prop-2-enamide is sourced from PubChem (CID 17278002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).