N-(2-chlorophenyl)-4-(1H-pyrazol-4-ylmethylcarbamoylamino)benzamide

C18H16ClN5O2 — CID 135223276

IUPACN-(2-chlorophenyl)-4-(1H-pyrazol-4-ylmethylcarbamoylamino)benzamide
SMILESO=C(NCc1cn[nH]c1)Nc1ccc(C(=O)Nc2ccccc2Cl)cc1
InChIInChI=1S/C18H16ClN5O2/c19-15-3-1-2-4-16(15)24-17(25)13-5-7-14(8-6-13)23-18(26)20-9-12-10-21-22-11-12/h1-8,10-11H,9H2,(H,21,22)(H,24,25)(H2,20,23,26)
InChIKeyJLCVNZXWDHGPDY-UHFFFAOYSA-N
MW369.81 g/mol
LogP3.64
Rot. Bonds5

About N-(2-chlorophenyl)-4-(1H-pyrazol-4-ylmethylcarbamoylamino)benzamide

N-(2-chlorophenyl)-4-(1H-pyrazol-4-ylmethylcarbamoylamino)benzamide (PubChem CID 135223276) has the molecular formula C18H16ClN5O2 and a molecular weight of 369.81 g/mol. Its IUPAC name is N-(2-chlorophenyl)-4-(1H-pyrazol-4-ylmethylcarbamoylamino)benzamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-4-(1H-pyrazol-4-ylmethylcarbamoylamino)benzamide
PubChem CID135223276
Molecular FormulaC18H16ClN5O2
Molecular Weight369.81 g/mol
Exact Mass369.10
IUPAC NameN-(2-chlorophenyl)-4-(1H-pyrazol-4-ylmethylcarbamoylamino)benzamide
SMILESO=C(NCc1cn[nH]c1)Nc1ccc(C(=O)Nc2ccccc2Cl)cc1
InChIInChI=1S/C18H16ClN5O2/c19-15-3-1-2-4-16(15)24-17(25)13-5-7-14(8-6-13)23-18(26)20-9-12-10-21-22-11-12/h1-8,10-11H,9H2,(H,21,22)(H,24,25)(H2,20,23,26)
InChIKeyJLCVNZXWDHGPDY-UHFFFAOYSA-N
XLogP3.64
TPSA98.91 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.81
LogP ≤ 53.64
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

N-isopropyl-3-[[4-(1H-pyrazol-4-yl)phenyl]carbamoylamino]benzamide
CID 68520214
3-[4-[(2-chlorophenyl)carbamoylamino]pyrazol-1-yl]-N-(piperidin-4-ylmethyl)benzamide
CID 86763302
3-[4-[(2-chlorophenyl)carbamoylamino]pyrazol-1-yl]-N-[(1-methylpiperidin-4-yl)methyl]benzamide
CID 118144380
3-[4-[(2-chlorophenyl)carbamoylamino]pyrazol-1-yl]-N-(3-pyrrolidin-1-ylpropyl)benzamide
CID 118146813
3-[4-[(2-chlorophenyl)carbamoylamino]pyrazol-1-yl]-N-[2-(diethylamino)ethyl]benzamide
CID 118720657
N-(4-chlorophenyl)-1-[3-(1H-pyrazol-5-yl)benzoyl]piperidine-3-carboxamide
CID 121317991
N-(azetidin-3-yl)-3-[4-[(2-chlorophenyl)carbamoylamino]pyrazol-1-yl]benzamide
CID 118720658
3-[4-[(2-chlorophenyl)carbamoylamino]pyrazol-1-yl]-N-pyrrolidin-3-ylbenzamide
CID 118720659
2-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]-2,3-dihydro-1H-quinazolin-4-one
CID 16325623
N-(4-chlorophenyl)-5,5-difluoro-1-[3-(1H-pyrazol-4-yl)benzoyl]piperidine-3-carboxamide
CID 121317975
N-(4-chlorophenyl)-1-[3-(1H-pyrazol-4-yl)benzoyl]piperidine-3-carboxamide
CID 121318061
N-[2-(2,5-dichloroanilino)-2-oxoethyl]-N-ethyl-4-pyrazol-1-ylbenzamide
CID 9117005

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-4-(1H-pyrazol-4-ylmethylcarbamoylamino)benzamide?
The IUPAC name of N-(2-chlorophenyl)-4-(1H-pyrazol-4-ylmethylcarbamoylamino)benzamide (CID 135223276) is N-(2-chlorophenyl)-4-(1H-pyrazol-4-ylmethylcarbamoylamino)benzamide.
What is the SMILES notation for N-(2-chlorophenyl)-4-(1H-pyrazol-4-ylmethylcarbamoylamino)benzamide?
The canonical SMILES for N-(2-chlorophenyl)-4-(1H-pyrazol-4-ylmethylcarbamoylamino)benzamide is O=C(NCc1cn[nH]c1)Nc1ccc(C(=O)Nc2ccccc2Cl)cc1.
What is the InChIKey of N-(2-chlorophenyl)-4-(1H-pyrazol-4-ylmethylcarbamoylamino)benzamide?
The InChIKey is JLCVNZXWDHGPDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN5O2/c19-15-3-1-2-4-16(15)24-17(25)13-5-7-14(8-6-13)23-18(26)20-9-12-10-21-22-11-12/h1-8,10-11H,9H2,(H,21,22)(H,24,25)(H2,20,23,26).
What are the key properties of N-(2-chlorophenyl)-4-(1H-pyrazol-4-ylmethylcarbamoylamino)benzamide?
N-(2-chlorophenyl)-4-(1H-pyrazol-4-ylmethylcarbamoylamino)benzamide has a molecular weight of 369.81 g/mol, XLogP of 3.64, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-4-(1H-pyrazol-4-ylmethylcarbamoylamino)benzamide is sourced from PubChem (CID 135223276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).