N-[(2-chloro-6-fluorophenyl)methyl]-4-(cyclopropanecarbonylamino)-N-methylbenzamide

C19H18ClFN2O2 — CID 36556294

IUPACN-[(2-chloro-6-fluorophenyl)methyl]-4-(cyclopropanecarbonylamino)-N-methylbenzamide
SMILESCN(Cc1c(F)cccc1Cl)C(=O)c1ccc(NC(=O)C2CC2)cc1
InChIInChI=1S/C19H18ClFN2O2/c1-23(11-15-16(20)3-2-4-17(15)21)19(25)13-7-9-14(10-8-13)22-18(24)12-5-6-12/h2-4,7-10,12H,5-6,11H2,1H3,(H,22,24)
InChIKeyZQCPABGJLPPBHU-UHFFFAOYSA-N
MW360.82 g/mol
LogP4.10
Rot. Bonds5

About N-[(2-chloro-6-fluorophenyl)methyl]-4-(cyclopropanecarbonylamino)-N-methylbenzamide

N-[(2-chloro-6-fluorophenyl)methyl]-4-(cyclopropanecarbonylamino)-N-methylbenzamide (PubChem CID 36556294) has the molecular formula C19H18ClFN2O2 and a molecular weight of 360.82 g/mol. Its IUPAC name is N-[(2-chloro-6-fluorophenyl)methyl]-4-(cyclopropanecarbonylamino)-N-methylbenzamide.

Molecular Properties

Compound NameN-[(2-chloro-6-fluorophenyl)methyl]-4-(cyclopropanecarbonylamino)-N-methylbenzamide
PubChem CID36556294
Molecular FormulaC19H18ClFN2O2
Molecular Weight360.82 g/mol
Exact Mass360.10
IUPAC NameN-[(2-chloro-6-fluorophenyl)methyl]-4-(cyclopropanecarbonylamino)-N-methylbenzamide
SMILESCN(Cc1c(F)cccc1Cl)C(=O)c1ccc(NC(=O)C2CC2)cc1
InChIInChI=1S/C19H18ClFN2O2/c1-23(11-15-16(20)3-2-4-17(15)21)19(25)13-7-9-14(10-8-13)22-18(24)12-5-6-12/h2-4,7-10,12H,5-6,11H2,1H3,(H,22,24)
InChIKeyZQCPABGJLPPBHU-UHFFFAOYSA-N
XLogP4.10
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.82
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-chlorophenyl)methyl]-4-(cyclopropanecarbonylamino)-N-methylbenzamide
CID 31987516
N-[4-[(2-chloro-6-fluorophenyl)methyl-methylcarbamoyl]phenyl]furan-2-carboxamide
CID 18112182
4-N-[(2-chloro-6-fluorophenyl)methyl]-4-N-methylbenzene-1,4-dicarboxamide
CID 39910131
N-[(2-chloro-6-fluorophenyl)methyl]-4-(2,5-dioxopyrrolidin-1-yl)-N-methylbenzamide
CID 18083832
4-(cyclopropanecarbonylamino)-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]benzamide
CID 134047351
N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-4-(prop-2-enylsulfamoyl)benzamide
CID 18112215
N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 32757723
N-[(2-chloro-6-fluorophenyl)methyl]-N-methylacetamide
CID 60628558
N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-4-pyrazol-1-ylbenzamide
CID 9171384
1-[(2-chloro-6-fluorophenyl)methyl]-N-(4-methylphenyl)piperidine-4-carboxamide
CID 45009865
4-(cyclopropanecarbonylamino)-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide
CID 38258141
N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-4-morpholin-4-ylsulfonylbenzamide
CID 30278785

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-6-fluorophenyl)methyl]-4-(cyclopropanecarbonylamino)-N-methylbenzamide?
The IUPAC name of N-[(2-chloro-6-fluorophenyl)methyl]-4-(cyclopropanecarbonylamino)-N-methylbenzamide (CID 36556294) is N-[(2-chloro-6-fluorophenyl)methyl]-4-(cyclopropanecarbonylamino)-N-methylbenzamide.
What is the SMILES notation for N-[(2-chloro-6-fluorophenyl)methyl]-4-(cyclopropanecarbonylamino)-N-methylbenzamide?
The canonical SMILES for N-[(2-chloro-6-fluorophenyl)methyl]-4-(cyclopropanecarbonylamino)-N-methylbenzamide is CN(Cc1c(F)cccc1Cl)C(=O)c1ccc(NC(=O)C2CC2)cc1.
What is the InChIKey of N-[(2-chloro-6-fluorophenyl)methyl]-4-(cyclopropanecarbonylamino)-N-methylbenzamide?
The InChIKey is ZQCPABGJLPPBHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClFN2O2/c1-23(11-15-16(20)3-2-4-17(15)21)19(25)13-7-9-14(10-8-13)22-18(24)12-5-6-12/h2-4,7-10,12H,5-6,11H2,1H3,(H,22,24).
What are the key properties of N-[(2-chloro-6-fluorophenyl)methyl]-4-(cyclopropanecarbonylamino)-N-methylbenzamide?
N-[(2-chloro-6-fluorophenyl)methyl]-4-(cyclopropanecarbonylamino)-N-methylbenzamide has a molecular weight of 360.82 g/mol, XLogP of 4.10, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-6-fluorophenyl)methyl]-4-(cyclopropanecarbonylamino)-N-methylbenzamide is sourced from PubChem (CID 36556294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).