N-carbamothioyl-3-chloro-4-[(4-fluorophenyl)methoxy]-5-methoxybenzamide

C16H14ClFN2O3S — CID 132591227

IUPACN-carbamothioyl-3-chloro-4-[(4-fluorophenyl)methoxy]-5-methoxybenzamide
SMILESCOc1cc(C(=O)NC(N)=S)cc(Cl)c1OCc1ccc(F)cc1
InChIInChI=1S/C16H14ClFN2O3S/c1-22-13-7-10(15(21)20-16(19)24)6-12(17)14(13)23-8-9-2-4-11(18)5-3-9/h2-7H,8H2,1H3,(H3,19,20,21,24)
InChIKeyMEDJNWWIAXXPGU-UHFFFAOYSA-N
MW368.82 g/mol
LogP3.04
Rot. Bonds5

About N-carbamothioyl-3-chloro-4-[(4-fluorophenyl)methoxy]-5-methoxybenzamide

N-carbamothioyl-3-chloro-4-[(4-fluorophenyl)methoxy]-5-methoxybenzamide (PubChem CID 132591227) has the molecular formula C16H14ClFN2O3S and a molecular weight of 368.82 g/mol. Its IUPAC name is N-carbamothioyl-3-chloro-4-[(4-fluorophenyl)methoxy]-5-methoxybenzamide.

Molecular Properties

Compound NameN-carbamothioyl-3-chloro-4-[(4-fluorophenyl)methoxy]-5-methoxybenzamide
PubChem CID132591227
Molecular FormulaC16H14ClFN2O3S
Molecular Weight368.82 g/mol
Exact Mass368.04
IUPAC NameN-carbamothioyl-3-chloro-4-[(4-fluorophenyl)methoxy]-5-methoxybenzamide
SMILESCOc1cc(C(=O)NC(N)=S)cc(Cl)c1OCc1ccc(F)cc1
InChIInChI=1S/C16H14ClFN2O3S/c1-22-13-7-10(15(21)20-16(19)24)6-12(17)14(13)23-8-9-2-4-11(18)5-3-9/h2-7H,8H2,1H3,(H3,19,20,21,24)
InChIKeyMEDJNWWIAXXPGU-UHFFFAOYSA-N
XLogP3.04
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.82
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-carbamothioyl-3-chloro-4-[(2-chloro-4-fluorophenyl)methoxy]-5-methoxybenzamide
CID 132591240
(E)-3-[3-chloro-4-[(4-fluorophenyl)methoxy]-5-methoxyphenyl]prop-2-enamide
CID 91685081
N-carbamothioyl-4-[(3,4-dichlorophenyl)methoxy]-3-methoxybenzamide
CID 132591182
N-carbamothioyl-3-chloro-4-[(2,6-dichlorophenyl)methoxy]-5-ethoxybenzamide
CID 132591215
3-chloro-N'-(4-fluorobenzoyl)-5-methoxy-4-(2-methylpropoxy)benzohydrazide
CID 55333896
3-chloro-4-[(4-chlorophenyl)methoxy]-5-methoxybenzoic acid
CID 8706920
3-chloro-5-ethoxy-4-[(4-fluorophenyl)methoxy]benzoyl chloride
CID 91682346
N-carbamothioyl-3,5-dichloro-4-[(2-methylphenyl)methoxy]benzamide
CID 132591340
N-carbamothioyl-4-[(3-fluorophenyl)methoxy]-3-methoxybenzamide
CID 132591188
N-[(Z)-[3-chloro-4-[(4-fluorophenyl)methoxy]-5-methoxyphenyl]methylideneamino]acetamide
CID 94829844
3-chloro-N-cyclopentyl-5-ethoxy-4-[(4-fluorophenyl)methoxy]benzamide
CID 70790010
N-[3-amino-2-[(4-fluorophenyl)methyl]-3-oxopropyl]-3-chloro-5-methoxy-4-propoxybenzamide
CID 60587424

Frequently Asked Questions

What is the IUPAC name of N-carbamothioyl-3-chloro-4-[(4-fluorophenyl)methoxy]-5-methoxybenzamide?
The IUPAC name of N-carbamothioyl-3-chloro-4-[(4-fluorophenyl)methoxy]-5-methoxybenzamide (CID 132591227) is N-carbamothioyl-3-chloro-4-[(4-fluorophenyl)methoxy]-5-methoxybenzamide.
What is the SMILES notation for N-carbamothioyl-3-chloro-4-[(4-fluorophenyl)methoxy]-5-methoxybenzamide?
The canonical SMILES for N-carbamothioyl-3-chloro-4-[(4-fluorophenyl)methoxy]-5-methoxybenzamide is COc1cc(C(=O)NC(N)=S)cc(Cl)c1OCc1ccc(F)cc1.
What is the InChIKey of N-carbamothioyl-3-chloro-4-[(4-fluorophenyl)methoxy]-5-methoxybenzamide?
The InChIKey is MEDJNWWIAXXPGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClFN2O3S/c1-22-13-7-10(15(21)20-16(19)24)6-12(17)14(13)23-8-9-2-4-11(18)5-3-9/h2-7H,8H2,1H3,(H3,19,20,21,24).
What are the key properties of N-carbamothioyl-3-chloro-4-[(4-fluorophenyl)methoxy]-5-methoxybenzamide?
N-carbamothioyl-3-chloro-4-[(4-fluorophenyl)methoxy]-5-methoxybenzamide has a molecular weight of 368.82 g/mol, XLogP of 3.04, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-carbamothioyl-3-chloro-4-[(4-fluorophenyl)methoxy]-5-methoxybenzamide is sourced from PubChem (CID 132591227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).