N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-4-(difluoromethoxy)-3-methoxybenzamide

C19H16ClF2N3O3 — CID 19397712

IUPACN-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-4-(difluoromethoxy)-3-methoxybenzamide
SMILESCOc1cc(C(=O)Nc2cnn(Cc3ccccc3Cl)c2)ccc1OC(F)F
InChIInChI=1S/C19H16ClF2N3O3/c1-27-17-8-12(6-7-16(17)28-19(21)22)18(26)24-14-9-23-25(11-14)10-13-4-2-3-5-15(13)20/h2-9,11,19H,10H2,1H3,(H,24,26)
InChIKeyUVXGGTPACQOYQE-UHFFFAOYSA-N
MW407.80 g/mol
LogP4.45
Rot. Bonds7

About N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-4-(difluoromethoxy)-3-methoxybenzamide

N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-4-(difluoromethoxy)-3-methoxybenzamide (PubChem CID 19397712) has the molecular formula C19H16ClF2N3O3 and a molecular weight of 407.80 g/mol. Its IUPAC name is N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-4-(difluoromethoxy)-3-methoxybenzamide.

Molecular Properties

Compound NameN-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-4-(difluoromethoxy)-3-methoxybenzamide
PubChem CID19397712
Molecular FormulaC19H16ClF2N3O3
Molecular Weight407.80 g/mol
Exact Mass407.08
IUPAC NameN-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-4-(difluoromethoxy)-3-methoxybenzamide
SMILESCOc1cc(C(=O)Nc2cnn(Cc3ccccc3Cl)c2)ccc1OC(F)F
InChIInChI=1S/C19H16ClF2N3O3/c1-27-17-8-12(6-7-16(17)28-19(21)22)18(26)24-14-9-23-25(11-14)10-13-4-2-3-5-15(13)20/h2-9,11,19H,10H2,1H3,(H,24,26)
InChIKeyUVXGGTPACQOYQE-UHFFFAOYSA-N
XLogP4.45
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.80
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-4-yl]-4-(difluoromethoxy)-3-ethoxybenzamide
CID 19410483
N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-4-yl]-3,4-dimethoxybenzamide
CID 1244331
4-(difluoromethoxy)-3-ethoxy-N-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]pyrazol-4-yl]benzamide
CID 19340365
4-(difluoromethoxy)-3-methoxy-N-phenylbenzamide
CID 2171846
N-[4-chloro-1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-4-(difluoromethoxy)-3-methoxybenzamide
CID 19405275
1-[(2-chlorophenyl)methyl]-N-[4-[(2-methoxyphenyl)carbamoyl]phenyl]pyrazole-4-carboxamide
CID 39723136
4-[(2-bromophenoxy)methyl]-N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]benzamide
CID 19397626
N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-4-[(2,6-dimethylphenoxy)methyl]benzamide
CID 19397750
3,4-dimethoxy-N-[1-[(2,3,4,6-tetrafluorophenyl)methyl]pyrazol-4-yl]benzamide
CID 19408001
N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-4-yl]-3-(difluoromethoxy)benzamide
CID 19410406
N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-2-methylbenzamide
CID 19397814
(Z)-N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-3-[4-(difluoromethoxy)phenyl]prop-2-enamide
CID 19397736

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-4-(difluoromethoxy)-3-methoxybenzamide?
The IUPAC name of N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-4-(difluoromethoxy)-3-methoxybenzamide (CID 19397712) is N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-4-(difluoromethoxy)-3-methoxybenzamide.
What is the SMILES notation for N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-4-(difluoromethoxy)-3-methoxybenzamide?
The canonical SMILES for N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-4-(difluoromethoxy)-3-methoxybenzamide is COc1cc(C(=O)Nc2cnn(Cc3ccccc3Cl)c2)ccc1OC(F)F.
What is the InChIKey of N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-4-(difluoromethoxy)-3-methoxybenzamide?
The InChIKey is UVXGGTPACQOYQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClF2N3O3/c1-27-17-8-12(6-7-16(17)28-19(21)22)18(26)24-14-9-23-25(11-14)10-13-4-2-3-5-15(13)20/h2-9,11,19H,10H2,1H3,(H,24,26).
What are the key properties of N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-4-(difluoromethoxy)-3-methoxybenzamide?
N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-4-(difluoromethoxy)-3-methoxybenzamide has a molecular weight of 407.80 g/mol, XLogP of 4.45, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-4-(difluoromethoxy)-3-methoxybenzamide is sourced from PubChem (CID 19397712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).