2-chloro-6-cyclopropyl-N-(2-ethanimidoyl-3-fluorophenyl)benzamide

C18H16ClFN2O — CID 144575015

IUPAC2-chloro-6-cyclopropyl-N-(2-ethanimidoyl-3-fluorophenyl)benzamide
SMILES[H]/N=C(\C)c1c(F)cccc1NC(=O)c1c(Cl)cccc1C1CC1
InChIInChI=1S/C18H16ClFN2O/c1-10(21)16-14(20)6-3-7-15(16)22-18(23)17-12(11-8-9-11)4-2-5-13(17)19/h2-7,11,21H,8-9H2,1H3,(H,22,23)/b21-10+
InChIKeyLKDAOVRIFSIDRJ-UFFVCSGVSA-N
MW330.79 g/mol
LogP5.00
Rot. Bonds4

About 2-chloro-6-cyclopropyl-N-(2-ethanimidoyl-3-fluorophenyl)benzamide

2-chloro-6-cyclopropyl-N-(2-ethanimidoyl-3-fluorophenyl)benzamide (PubChem CID 144575015) has the molecular formula C18H16ClFN2O and a molecular weight of 330.79 g/mol. Its IUPAC name is 2-chloro-6-cyclopropyl-N-(2-ethanimidoyl-3-fluorophenyl)benzamide.

Molecular Properties

Compound Name2-chloro-6-cyclopropyl-N-(2-ethanimidoyl-3-fluorophenyl)benzamide
PubChem CID144575015
Molecular FormulaC18H16ClFN2O
Molecular Weight330.79 g/mol
Exact Mass330.09
IUPAC Name2-chloro-6-cyclopropyl-N-(2-ethanimidoyl-3-fluorophenyl)benzamide
SMILES[H]/N=C(\C)c1c(F)cccc1NC(=O)c1c(Cl)cccc1C1CC1
InChIInChI=1S/C18H16ClFN2O/c1-10(21)16-14(20)6-3-7-15(16)22-18(23)17-12(11-8-9-11)4-2-5-13(17)19/h2-7,11,21H,8-9H2,1H3,(H,22,23)/b21-10+
InChIKeyLKDAOVRIFSIDRJ-UFFVCSGVSA-N
XLogP5.00
TPSA52.95 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.79
LogP ≤ 55.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1-[2-[(2-chloro-6-cyclopropylbenzoyl)amino]-6-fluorobenzenecarboximidoyl]piperidine-4-carboxylic acid
CID 144575020
(4R)-1-[2-[(2-chloro-6-cyclopropylbenzoyl)amino]-6-fluorobenzenecarboximidoyl]-3-hydroxy-4-methylpiperidine-4-carboxylic acid
CID 144574986
methyl 4-[3-[(2-chloro-6-cyclohexylbenzoyl)amino]pyridine-2-carboximidoyl]-3-fluorobenzoate
CID 144574759
2-amino-6-chloro-N-(3-fluoro-2-methylphenyl)benzamide
CID 63660223
(2-chloro-6-fluorophenyl)-(2-cyclobutylphenyl)methanone
CID 115813620
2-chloro-N-(2,3-dihydro-1H-inden-1-yl)-6-fluorobenzamide
CID 42889076
6-chloro-4-[(2-chloro-6-fluorobenzoyl)amino]-N-cyclopropylpyridine-3-carboxamide
CID 156880882
2-[(3-chloro-2-methylbenzoyl)amino]-6-fluorobenzoic acid
CID 107095848
2-chloro-6-fluoro-N-(4-iodo-2-methylphenyl)benzamide
CID 47099671
(E)-2-(2-chloro-6-fluorobenzenecarboximidoyl)-3-hydroxybut-2-enoic acid
CID 135856556
2-chloro-6-fluoro-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 2450751
2-chloro-6-fluoro-N-(2-propoxyphenyl)benzamide
CID 17395083

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-cyclopropyl-N-(2-ethanimidoyl-3-fluorophenyl)benzamide?
The IUPAC name of 2-chloro-6-cyclopropyl-N-(2-ethanimidoyl-3-fluorophenyl)benzamide (CID 144575015) is 2-chloro-6-cyclopropyl-N-(2-ethanimidoyl-3-fluorophenyl)benzamide.
What is the SMILES notation for 2-chloro-6-cyclopropyl-N-(2-ethanimidoyl-3-fluorophenyl)benzamide?
The canonical SMILES for 2-chloro-6-cyclopropyl-N-(2-ethanimidoyl-3-fluorophenyl)benzamide is [H]/N=C(\C)c1c(F)cccc1NC(=O)c1c(Cl)cccc1C1CC1.
What is the InChIKey of 2-chloro-6-cyclopropyl-N-(2-ethanimidoyl-3-fluorophenyl)benzamide?
The InChIKey is LKDAOVRIFSIDRJ-UFFVCSGVSA-N. The full InChI is InChI=1S/C18H16ClFN2O/c1-10(21)16-14(20)6-3-7-15(16)22-18(23)17-12(11-8-9-11)4-2-5-13(17)19/h2-7,11,21H,8-9H2,1H3,(H,22,23)/b21-10+.
What are the key properties of 2-chloro-6-cyclopropyl-N-(2-ethanimidoyl-3-fluorophenyl)benzamide?
2-chloro-6-cyclopropyl-N-(2-ethanimidoyl-3-fluorophenyl)benzamide has a molecular weight of 330.79 g/mol, XLogP of 5.00, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-cyclopropyl-N-(2-ethanimidoyl-3-fluorophenyl)benzamide is sourced from PubChem (CID 144575015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).