N-(2-chlorophenyl)phenothiazine-10-carboxamide

C19H13ClN2OS — CID 19916612

IUPACN-(2-chlorophenyl)phenothiazine-10-carboxamide
SMILESO=C(Nc1ccccc1Cl)N1c2ccccc2Sc2ccccc21
InChIInChI=1S/C19H13ClN2OS/c20-13-7-1-2-8-14(13)21-19(23)22-15-9-3-5-11-17(15)24-18-12-6-4-10-16(18)22/h1-12H,(H,21,23)
InChIKeyOEGYHSYRGPLMQZ-UHFFFAOYSA-N
MW352.85 g/mol
LogP6.17
Rot. Bonds1

About N-(2-chlorophenyl)phenothiazine-10-carboxamide

N-(2-chlorophenyl)phenothiazine-10-carboxamide (PubChem CID 19916612) has the molecular formula C19H13ClN2OS and a molecular weight of 352.85 g/mol. Its IUPAC name is N-(2-chlorophenyl)phenothiazine-10-carboxamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)phenothiazine-10-carboxamide
PubChem CID19916612
Molecular FormulaC19H13ClN2OS
Molecular Weight352.85 g/mol
Exact Mass352.04
IUPAC NameN-(2-chlorophenyl)phenothiazine-10-carboxamide
SMILESO=C(Nc1ccccc1Cl)N1c2ccccc2Sc2ccccc21
InChIInChI=1S/C19H13ClN2OS/c20-13-7-1-2-8-14(13)21-19(23)22-15-9-3-5-11-17(15)24-18-12-6-4-10-16(18)22/h1-12H,(H,21,23)
InChIKeyOEGYHSYRGPLMQZ-UHFFFAOYSA-N
XLogP6.17
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.85
LogP ≤ 56.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,5-dimethoxyphenyl)phenothiazine-10-carboxamide
CID 4194410
N-[4-(dimethylamino)phenyl]phenothiazine-10-carboxamide
CID 3709693
N-[4-(cyclopropanecarbonylamino)-2,5-diethoxyphenyl]phenothiazine-10-carboxamide
CID 1441405
2-[[2-(2-chloroanilino)-2-oxoethyl]disulfanyl]-N-(2-chlorophenyl)acetamide
CID 71330084
N-(4-butan-2-ylphenyl)phenothiazine-10-carboxamide
CID 2936908
1-(2-chlorophenyl)-3-(2-phenothiazin-10-ylethyl)thiourea
CID 11742396
ethyl 2-chloro-4-(phenothiazine-10-carbonylamino)benzoate
CID 28572191
N-[(1S)-1-phenylethyl]phenothiazine-10-carboxamide
CID 705761
2-acetyl-N-phenylphenothiazine-10-carboxamide
CID 4153875
(3R,5R)-N-(2-chlorophenyl)-3,5-dimethylpiperidine-1-carboxamide
CID 40638803
3-(2-chlorophenyl)-1-phenothiazin-10-ylprop-2-en-1-one
CID 4292265
dimethyl-[2-(phenothiazine-10-carbonylamino)ethyl]azanium
CID 4086597

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)phenothiazine-10-carboxamide?
The IUPAC name of N-(2-chlorophenyl)phenothiazine-10-carboxamide (CID 19916612) is N-(2-chlorophenyl)phenothiazine-10-carboxamide.
What is the SMILES notation for N-(2-chlorophenyl)phenothiazine-10-carboxamide?
The canonical SMILES for N-(2-chlorophenyl)phenothiazine-10-carboxamide is O=C(Nc1ccccc1Cl)N1c2ccccc2Sc2ccccc21.
What is the InChIKey of N-(2-chlorophenyl)phenothiazine-10-carboxamide?
The InChIKey is OEGYHSYRGPLMQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClN2OS/c20-13-7-1-2-8-14(13)21-19(23)22-15-9-3-5-11-17(15)24-18-12-6-4-10-16(18)22/h1-12H,(H,21,23).
What are the key properties of N-(2-chlorophenyl)phenothiazine-10-carboxamide?
N-(2-chlorophenyl)phenothiazine-10-carboxamide has a molecular weight of 352.85 g/mol, XLogP of 6.17, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)phenothiazine-10-carboxamide is sourced from PubChem (CID 19916612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).