4-chloro-N-(dipropylcarbamothioyl)benzamide

C14H19ClN2OS — CID 4924321

IUPAC4-chloro-N-(dipropylcarbamothioyl)benzamide
SMILESCCCN(CCC)C(=S)NC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C14H19ClN2OS/c1-3-9-17(10-4-2)14(19)16-13(18)11-5-7-12(15)8-6-11/h5-8H,3-4,9-10H2,1-2H3,(H,16,18,19)
InChIKeyFGADMYWNUAJYDM-UHFFFAOYSA-N
MW298.84 g/mol
LogP3.48
Rot. Bonds5

About 4-chloro-N-(dipropylcarbamothioyl)benzamide

4-chloro-N-(dipropylcarbamothioyl)benzamide (PubChem CID 4924321) has the molecular formula C14H19ClN2OS and a molecular weight of 298.84 g/mol. Its IUPAC name is 4-chloro-N-(dipropylcarbamothioyl)benzamide.

Molecular Properties

Compound Name4-chloro-N-(dipropylcarbamothioyl)benzamide
PubChem CID4924321
Molecular FormulaC14H19ClN2OS
Molecular Weight298.84 g/mol
Exact Mass298.09
IUPAC Name4-chloro-N-(dipropylcarbamothioyl)benzamide
SMILESCCCN(CCC)C(=S)NC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C14H19ClN2OS/c1-3-9-17(10-4-2)14(19)16-13(18)11-5-7-12(15)8-6-11/h5-8H,3-4,9-10H2,1-2H3,(H,16,18,19)
InChIKeyFGADMYWNUAJYDM-UHFFFAOYSA-N
XLogP3.48
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.84
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(dipropylcarbamothioyl)-4-methoxybenzamide
CID 2223274
N-(dipropylcarbamothioyl)-4-ethoxybenzamide
CID 4948995
(E)-3-(4-chlorophenyl)-N-(dipropylcarbamothioyl)prop-2-enamide
CID 17195712
N-(dibutylcarbamothioyl)-4-fluorobenzamide
CID 2294349
N-[bis[(4-methoxyphenyl)methyl]carbamothioyl]-4-chlorobenzamide
CID 87073657
N-[cyclopropylmethyl(propyl)carbamothioyl]-4-methylbenzamide
CID 3816997
4-chloro-N-(methylcarbamothioyl)benzamide
CID 4948495
4-[(4-chlorobenzoyl)carbamothioylamino]-N,N-diethylbenzamide
CID 17197077
N-acetyl-4-chlorobenzamide
CID 11735747
N-(4-chlorobenzoyl)-4-methylbenzamide
CID 122212331
1-[(4-chlorobenzoyl)amino]-1-methylthiourea
CID 165352837
N-(diethylcarbamothioyl)-4-propan-2-yloxybenzamide
CID 4952195

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(dipropylcarbamothioyl)benzamide?
The IUPAC name of 4-chloro-N-(dipropylcarbamothioyl)benzamide (CID 4924321) is 4-chloro-N-(dipropylcarbamothioyl)benzamide.
What is the SMILES notation for 4-chloro-N-(dipropylcarbamothioyl)benzamide?
The canonical SMILES for 4-chloro-N-(dipropylcarbamothioyl)benzamide is CCCN(CCC)C(=S)NC(=O)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-(dipropylcarbamothioyl)benzamide?
The InChIKey is FGADMYWNUAJYDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2OS/c1-3-9-17(10-4-2)14(19)16-13(18)11-5-7-12(15)8-6-11/h5-8H,3-4,9-10H2,1-2H3,(H,16,18,19).
What are the key properties of 4-chloro-N-(dipropylcarbamothioyl)benzamide?
4-chloro-N-(dipropylcarbamothioyl)benzamide has a molecular weight of 298.84 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(dipropylcarbamothioyl)benzamide is sourced from PubChem (CID 4924321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).