1-benzamido-3-(3-chlorophenyl)thiourea

C14H12ClN3OS — CID 24819125

IUPAC1-benzamido-3-(3-chlorophenyl)thiourea
SMILESO=C(NNC(=S)Nc1cccc(Cl)c1)c1ccccc1
InChIInChI=1S/C14H12ClN3OS/c15-11-7-4-8-12(9-11)16-14(20)18-17-13(19)10-5-2-1-3-6-10/h1-9H,(H,17,19)(H2,16,18,20)
InChIKeyVMLODGKEQRFVLR-UHFFFAOYSA-N
MW305.79 g/mol
LogP2.97
Rot. Bonds2

About 1-benzamido-3-(3-chlorophenyl)thiourea

1-benzamido-3-(3-chlorophenyl)thiourea (PubChem CID 24819125) has the molecular formula C14H12ClN3OS and a molecular weight of 305.79 g/mol. Its IUPAC name is 1-benzamido-3-(3-chlorophenyl)thiourea.

Molecular Properties

Compound Name1-benzamido-3-(3-chlorophenyl)thiourea
PubChem CID24819125
Molecular FormulaC14H12ClN3OS
Molecular Weight305.79 g/mol
Exact Mass305.04
IUPAC Name1-benzamido-3-(3-chlorophenyl)thiourea
SMILESO=C(NNC(=S)Nc1cccc(Cl)c1)c1ccccc1
InChIInChI=1S/C14H12ClN3OS/c15-11-7-4-8-12(9-11)16-14(20)18-17-13(19)10-5-2-1-3-6-10/h1-9H,(H,17,19)(H2,16,18,20)
InChIKeyVMLODGKEQRFVLR-UHFFFAOYSA-N
XLogP2.97
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.79
LogP ≤ 52.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(((2-Chlorophenyl)amino)thioxomethyl)benzamide
CID 692093
N-(((4-Chlorophenyl)amino)thioxomethyl)benzamide
CID 701011
1-Benzoyl-4-phenyl-3-thiosemicarbazide
CID 735919
N-(3-chloro-4-methylphenyl)-2-(3-nitrobenzoyl)hydrazine-1-carbothioamide
CID 3486183
1-Benzamido-3-(4-chlorophenyl)thiourea
CID 5202474
N-[(3-chloro-2-methylphenyl)carbamothioyl]benzamide
CID 708499
1-[(2-Chlorobenzoyl)amino]-3-(2-chlorophenyl)thiourea
CID 24819610
1-Benzoyl-3-(2,5-dichloro-phenyl)-thiourea
CID 881405
N-(((3-Chlorophenyl)amino)thioxomethyl)benzamide
CID 909200
N1-(3,4-dichlorophenyl)-2-(3-nitrobenzoyl)hydrazine-1-carbothioamide
CID 3840446
N-{[(3-chlorophenyl)amino]carbonylamino}-3-phenylpropanamide
CID 5238384
N-{[(3-chloro-2-methylphenyl)amino]carbonylamino}-3-phenylpropanamide
CID 24819047

Frequently Asked Questions

What is the IUPAC name of 1-benzamido-3-(3-chlorophenyl)thiourea?
The IUPAC name of 1-benzamido-3-(3-chlorophenyl)thiourea (CID 24819125) is 1-benzamido-3-(3-chlorophenyl)thiourea.
What is the SMILES notation for 1-benzamido-3-(3-chlorophenyl)thiourea?
The canonical SMILES for 1-benzamido-3-(3-chlorophenyl)thiourea is O=C(NNC(=S)Nc1cccc(Cl)c1)c1ccccc1.
What is the InChIKey of 1-benzamido-3-(3-chlorophenyl)thiourea?
The InChIKey is VMLODGKEQRFVLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3OS/c15-11-7-4-8-12(9-11)16-14(20)18-17-13(19)10-5-2-1-3-6-10/h1-9H,(H,17,19)(H2,16,18,20).
What are the key properties of 1-benzamido-3-(3-chlorophenyl)thiourea?
1-benzamido-3-(3-chlorophenyl)thiourea has a molecular weight of 305.79 g/mol, XLogP of 2.97, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzamido-3-(3-chlorophenyl)thiourea is sourced from PubChem (CID 24819125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).