2-chloro-N,N-diethyl-4-[[4-(5-methylpyrazol-1-yl)benzoyl]amino]benzamide

C22H23ClN4O2 — CID 34746028

IUPAC2-chloro-N,N-diethyl-4-[[4-(5-methylpyrazol-1-yl)benzoyl]amino]benzamide
SMILESCCN(CC)C(=O)c1ccc(NC(=O)c2ccc(-n3nccc3C)cc2)cc1Cl
InChIInChI=1S/C22H23ClN4O2/c1-4-26(5-2)22(29)19-11-8-17(14-20(19)23)25-21(28)16-6-9-18(10-7-16)27-15(3)12-13-24-27/h6-14H,4-5H2,1-3H3,(H,25,28)
InChIKeyHYFBAYWDDQXHHP-UHFFFAOYSA-N
MW410.91 g/mol
LogP4.57
Rot. Bonds6

About 2-chloro-N,N-diethyl-4-[[4-(5-methylpyrazol-1-yl)benzoyl]amino]benzamide

2-chloro-N,N-diethyl-4-[[4-(5-methylpyrazol-1-yl)benzoyl]amino]benzamide (PubChem CID 34746028) has the molecular formula C22H23ClN4O2 and a molecular weight of 410.91 g/mol. Its IUPAC name is 2-chloro-N,N-diethyl-4-[[4-(5-methylpyrazol-1-yl)benzoyl]amino]benzamide.

Molecular Properties

Compound Name2-chloro-N,N-diethyl-4-[[4-(5-methylpyrazol-1-yl)benzoyl]amino]benzamide
PubChem CID34746028
Molecular FormulaC22H23ClN4O2
Molecular Weight410.91 g/mol
Exact Mass410.15
IUPAC Name2-chloro-N,N-diethyl-4-[[4-(5-methylpyrazol-1-yl)benzoyl]amino]benzamide
SMILESCCN(CC)C(=O)c1ccc(NC(=O)c2ccc(-n3nccc3C)cc2)cc1Cl
InChIInChI=1S/C22H23ClN4O2/c1-4-26(5-2)22(29)19-11-8-17(14-20(19)23)25-21(28)16-6-9-18(10-7-16)27-15(3)12-13-24-27/h6-14H,4-5H2,1-3H3,(H,25,28)
InChIKeyHYFBAYWDDQXHHP-UHFFFAOYSA-N
XLogP4.57
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.91
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-diethyl-4-[[4-(5-methylpyrazol-1-yl)benzoyl]amino]benzamide
CID 9047752
N-(3-chloro-4-methoxyphenyl)-4-(5-methylpyrazol-1-yl)benzamide
CID 9269655
2-chloro-N-[3-chloro-4-(diethylcarbamoyl)phenyl]pyridine-4-carboxamide
CID 34746930
2-chloro-N,N-diethyl-4-[(4-prop-2-enoxybenzoyl)amino]benzamide
CID 55673174
N-(4-ethoxyphenyl)-4-(5-methylpyrazol-1-yl)benzamide
CID 9043122
N-[3-chloro-4-(diethylcarbamoyl)phenyl]-2,3-dimethyl-1H-indole-5-carboxamide
CID 34745053
4-[[4-(2,5-dimethylpyrrol-1-yl)benzoyl]amino]-N,N-diethylbenzamide
CID 40512293
3-[[4-(3,5-dimethylpyrazol-1-yl)benzoyl]amino]-N,N-diethylbenzamide
CID 26070875
2-chloro-4-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]-N,N-diethylbenzamide
CID 34747067
N-[3-[(2-chlorophenyl)sulfamoyl]-4-methylphenyl]-4-(5-methylpyrazol-1-yl)benzamide
CID 35932965
2-chloro-N-[4-(diethylcarbamoyl)phenyl]-5-(1,2,4-triazol-4-yl)benzamide
CID 1242037
5-amino-N-[3-chloro-4-(diethylcarbamoyl)phenyl]-2-methylbenzamide;hydrochloride
CID 120620961

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N,N-diethyl-4-[[4-(5-methylpyrazol-1-yl)benzoyl]amino]benzamide?
The IUPAC name of 2-chloro-N,N-diethyl-4-[[4-(5-methylpyrazol-1-yl)benzoyl]amino]benzamide (CID 34746028) is 2-chloro-N,N-diethyl-4-[[4-(5-methylpyrazol-1-yl)benzoyl]amino]benzamide.
What is the SMILES notation for 2-chloro-N,N-diethyl-4-[[4-(5-methylpyrazol-1-yl)benzoyl]amino]benzamide?
The canonical SMILES for 2-chloro-N,N-diethyl-4-[[4-(5-methylpyrazol-1-yl)benzoyl]amino]benzamide is CCN(CC)C(=O)c1ccc(NC(=O)c2ccc(-n3nccc3C)cc2)cc1Cl.
What is the InChIKey of 2-chloro-N,N-diethyl-4-[[4-(5-methylpyrazol-1-yl)benzoyl]amino]benzamide?
The InChIKey is HYFBAYWDDQXHHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN4O2/c1-4-26(5-2)22(29)19-11-8-17(14-20(19)23)25-21(28)16-6-9-18(10-7-16)27-15(3)12-13-24-27/h6-14H,4-5H2,1-3H3,(H,25,28).
What are the key properties of 2-chloro-N,N-diethyl-4-[[4-(5-methylpyrazol-1-yl)benzoyl]amino]benzamide?
2-chloro-N,N-diethyl-4-[[4-(5-methylpyrazol-1-yl)benzoyl]amino]benzamide has a molecular weight of 410.91 g/mol, XLogP of 4.57, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N,N-diethyl-4-[[4-(5-methylpyrazol-1-yl)benzoyl]amino]benzamide is sourced from PubChem (CID 34746028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).