N-cyclohexyl-4-[[(E)-3-(3-fluorophenyl)prop-2-enoyl]amino]-3-methylbenzamide

C23H25FN2O2 — CID 55879674

IUPACN-cyclohexyl-4-[[(E)-3-(3-fluorophenyl)prop-2-enoyl]amino]-3-methylbenzamide
SMILESCc1cc(C(=O)NC2CCCCC2)ccc1NC(=O)/C=C/c1cccc(F)c1
InChIInChI=1S/C23H25FN2O2/c1-16-14-18(23(28)25-20-8-3-2-4-9-20)11-12-21(16)26-22(27)13-10-17-6-5-7-19(24)15-17/h5-7,10-15,20H,2-4,8-9H2,1H3,(H,25,28)(H,26,27)/b13-10+
InChIKeyIVQOFNFHZYSZGZ-JLHYYAGUSA-N
MW380.46 g/mol
LogP4.85
Rot. Bonds5

About N-cyclohexyl-4-[[(E)-3-(3-fluorophenyl)prop-2-enoyl]amino]-3-methylbenzamide

N-cyclohexyl-4-[[(E)-3-(3-fluorophenyl)prop-2-enoyl]amino]-3-methylbenzamide (PubChem CID 55879674) has the molecular formula C23H25FN2O2 and a molecular weight of 380.46 g/mol. Its IUPAC name is N-cyclohexyl-4-[[(E)-3-(3-fluorophenyl)prop-2-enoyl]amino]-3-methylbenzamide.

Molecular Properties

Compound NameN-cyclohexyl-4-[[(E)-3-(3-fluorophenyl)prop-2-enoyl]amino]-3-methylbenzamide
PubChem CID55879674
Molecular FormulaC23H25FN2O2
Molecular Weight380.46 g/mol
Exact Mass380.19
IUPAC NameN-cyclohexyl-4-[[(E)-3-(3-fluorophenyl)prop-2-enoyl]amino]-3-methylbenzamide
SMILESCc1cc(C(=O)NC2CCCCC2)ccc1NC(=O)/C=C/c1cccc(F)c1
InChIInChI=1S/C23H25FN2O2/c1-16-14-18(23(28)25-20-8-3-2-4-9-20)11-12-21(16)26-22(27)13-10-17-6-5-7-19(24)15-17/h5-7,10-15,20H,2-4,8-9H2,1H3,(H,25,28)(H,26,27)/b13-10+
InChIKeyIVQOFNFHZYSZGZ-JLHYYAGUSA-N
XLogP4.85
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.46
LogP ≤ 54.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-cyclopentyl-4-(cyclopropylcarbamoylamino)-3-methylbenzamide
CID 48645772
3-benzamido-N-[4-(cyclohexylcarbamoyl)-2-methylphenyl]-4-methylbenzamide
CID 55878666
N-cyclopropyl-4-[(E)-3-(2,5-difluoroanilino)-3-oxoprop-1-enyl]benzamide
CID 35504273
(E)-3-(3-fluorophenyl)-N-[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]prop-2-enamide
CID 134048019
4-[(2-aminoacetyl)amino]-N-cyclohexyl-3-methylbenzamide;hydrochloride
CID 119283092
N-[4-(cyclopentylcarbamoyl)-2-methylphenyl]azepane-1-carboxamide
CID 48645800
4-(4-aminobutanoylamino)-N-cyclohexyl-3-methylbenzamide
CID 119283103
N-[4-(cyclohexylcarbamoyl)-2-methylphenyl]-7-fluoro-2-methylquinoline-4-carboxamide
CID 55879301
3-(3-fluorophenyl)-N-(4-hydroxycyclohexyl)prop-2-enamide
CID 74880395
(E)-3-(3-fluorophenyl)-N-(4-hydroxycyclohexyl)prop-2-enamide
CID 43389280
N-cycloheptyl-4-(ethylamino)-3-methylbenzamide
CID 63210563
N-cyclohexyl-3-methyl-4-[4-(methylamino)butanoylamino]benzamide;hydrochloride
CID 119711987

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-[[(E)-3-(3-fluorophenyl)prop-2-enoyl]amino]-3-methylbenzamide?
The IUPAC name of N-cyclohexyl-4-[[(E)-3-(3-fluorophenyl)prop-2-enoyl]amino]-3-methylbenzamide (CID 55879674) is N-cyclohexyl-4-[[(E)-3-(3-fluorophenyl)prop-2-enoyl]amino]-3-methylbenzamide.
What is the SMILES notation for N-cyclohexyl-4-[[(E)-3-(3-fluorophenyl)prop-2-enoyl]amino]-3-methylbenzamide?
The canonical SMILES for N-cyclohexyl-4-[[(E)-3-(3-fluorophenyl)prop-2-enoyl]amino]-3-methylbenzamide is Cc1cc(C(=O)NC2CCCCC2)ccc1NC(=O)/C=C/c1cccc(F)c1.
What is the InChIKey of N-cyclohexyl-4-[[(E)-3-(3-fluorophenyl)prop-2-enoyl]amino]-3-methylbenzamide?
The InChIKey is IVQOFNFHZYSZGZ-JLHYYAGUSA-N. The full InChI is InChI=1S/C23H25FN2O2/c1-16-14-18(23(28)25-20-8-3-2-4-9-20)11-12-21(16)26-22(27)13-10-17-6-5-7-19(24)15-17/h5-7,10-15,20H,2-4,8-9H2,1H3,(H,25,28)(H,26,27)/b13-10+.
What are the key properties of N-cyclohexyl-4-[[(E)-3-(3-fluorophenyl)prop-2-enoyl]amino]-3-methylbenzamide?
N-cyclohexyl-4-[[(E)-3-(3-fluorophenyl)prop-2-enoyl]amino]-3-methylbenzamide has a molecular weight of 380.46 g/mol, XLogP of 4.85, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-[[(E)-3-(3-fluorophenyl)prop-2-enoyl]amino]-3-methylbenzamide is sourced from PubChem (CID 55879674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).