(3Z,5Z)-N-[[4-[(4-chlorophenyl)methylcarbamoylamino]phenyl]methyl]-3-methanimidoylhepta-3,5-dienamide

C23H25ClN4O2 — CID 156824996

IUPAC(3Z,5Z)-N-[[4-[(4-chlorophenyl)methylcarbamoylamino]phenyl]methyl]-3-methanimidoylhepta-3,5-dienamide
SMILES[H]/N=C/C(=C\C=C/C)CC(=O)NCc1ccc(NC(=O)NCc2ccc(Cl)cc2)cc1
InChIInChI=1S/C23H25ClN4O2/c1-2-3-4-19(14-25)13-22(29)26-15-18-7-11-21(12-8-18)28-23(30)27-16-17-5-9-20(24)10-6-17/h2-12,14,25H,13,15-16H2,1H3,(H,26,29)(H2,27,28,30)/b3-2-,19-4-,25-14+
InChIKeyUFOMZYTVIVMGLL-FNAGDUPSSA-N
MW424.93 g/mol
LogP4.82
Rot. Bonds9

About (3Z,5Z)-N-[[4-[(4-chlorophenyl)methylcarbamoylamino]phenyl]methyl]-3-methanimidoylhepta-3,5-dienamide

(3Z,5Z)-N-[[4-[(4-chlorophenyl)methylcarbamoylamino]phenyl]methyl]-3-methanimidoylhepta-3,5-dienamide (PubChem CID 156824996) has the molecular formula C23H25ClN4O2 and a molecular weight of 424.93 g/mol. Its IUPAC name is (3Z,5Z)-N-[[4-[(4-chlorophenyl)methylcarbamoylamino]phenyl]methyl]-3-methanimidoylhepta-3,5-dienamide.

Molecular Properties

Compound Name(3Z,5Z)-N-[[4-[(4-chlorophenyl)methylcarbamoylamino]phenyl]methyl]-3-methanimidoylhepta-3,5-dienamide
PubChem CID156824996
Molecular FormulaC23H25ClN4O2
Molecular Weight424.93 g/mol
Exact Mass424.17
IUPAC Name(3Z,5Z)-N-[[4-[(4-chlorophenyl)methylcarbamoylamino]phenyl]methyl]-3-methanimidoylhepta-3,5-dienamide
SMILES[H]/N=C/C(=C\C=C/C)CC(=O)NCc1ccc(NC(=O)NCc2ccc(Cl)cc2)cc1
InChIInChI=1S/C23H25ClN4O2/c1-2-3-4-19(14-25)13-22(29)26-15-18-7-11-21(12-8-18)28-23(30)27-16-17-5-9-20(24)10-6-17/h2-12,14,25H,13,15-16H2,1H3,(H,26,29)(H2,27,28,30)/b3-2-,19-4-,25-14+
InChIKeyUFOMZYTVIVMGLL-FNAGDUPSSA-N
XLogP4.82
TPSA94.08 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.93
LogP ≤ 54.82
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 166173336
1-[4-(1-aminoethyl)phenyl]-3-[(4-chlorophenyl)methyl]urea
CID 61340890
1-[(4-chlorophenyl)methyl]-3-[4-[(1S)-1-methylsulfanylethyl]phenyl]urea
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1-(4-tert-butylphenyl)-3-[(4-hexa-2,4-dien-2-yloxyphenyl)methyl]urea
CID 123668583
N-[4-[[[2-(4-chlorophenyl)acetyl]amino]methyl]phenyl]-2-methylpropanamide
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N-[3-[(4-chlorophenyl)methylcarbamoylamino]phenyl]acetamide
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1-(4-chlorophenyl)-3-[[4-(trifluoromethylsulfanyl)phenyl]methyl]urea
CID 172617529

Frequently Asked Questions

What is the IUPAC name of (3Z,5Z)-N-[[4-[(4-chlorophenyl)methylcarbamoylamino]phenyl]methyl]-3-methanimidoylhepta-3,5-dienamide?
The IUPAC name of (3Z,5Z)-N-[[4-[(4-chlorophenyl)methylcarbamoylamino]phenyl]methyl]-3-methanimidoylhepta-3,5-dienamide (CID 156824996) is (3Z,5Z)-N-[[4-[(4-chlorophenyl)methylcarbamoylamino]phenyl]methyl]-3-methanimidoylhepta-3,5-dienamide.
What is the SMILES notation for (3Z,5Z)-N-[[4-[(4-chlorophenyl)methylcarbamoylamino]phenyl]methyl]-3-methanimidoylhepta-3,5-dienamide?
The canonical SMILES for (3Z,5Z)-N-[[4-[(4-chlorophenyl)methylcarbamoylamino]phenyl]methyl]-3-methanimidoylhepta-3,5-dienamide is [H]/N=C/C(=C\C=C/C)CC(=O)NCc1ccc(NC(=O)NCc2ccc(Cl)cc2)cc1.
What is the InChIKey of (3Z,5Z)-N-[[4-[(4-chlorophenyl)methylcarbamoylamino]phenyl]methyl]-3-methanimidoylhepta-3,5-dienamide?
The InChIKey is UFOMZYTVIVMGLL-FNAGDUPSSA-N. The full InChI is InChI=1S/C23H25ClN4O2/c1-2-3-4-19(14-25)13-22(29)26-15-18-7-11-21(12-8-18)28-23(30)27-16-17-5-9-20(24)10-6-17/h2-12,14,25H,13,15-16H2,1H3,(H,26,29)(H2,27,28,30)/b3-2-,19-4-,25-14+.
What are the key properties of (3Z,5Z)-N-[[4-[(4-chlorophenyl)methylcarbamoylamino]phenyl]methyl]-3-methanimidoylhepta-3,5-dienamide?
(3Z,5Z)-N-[[4-[(4-chlorophenyl)methylcarbamoylamino]phenyl]methyl]-3-methanimidoylhepta-3,5-dienamide has a molecular weight of 424.93 g/mol, XLogP of 4.82, 9 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5Z)-N-[[4-[(4-chlorophenyl)methylcarbamoylamino]phenyl]methyl]-3-methanimidoylhepta-3,5-dienamide is sourced from PubChem (CID 156824996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).