N-[3-(4-bromophenyl)-2,2-dimethylcyclopropyl]-5-chloro-2-methoxybenzamide

C19H19BrClNO2 — CID 68582335

IUPACN-[3-(4-bromophenyl)-2,2-dimethylcyclopropyl]-5-chloro-2-methoxybenzamide
SMILESCOc1ccc(Cl)cc1C(=O)NC1C(c2ccc(Br)cc2)C1(C)C
InChIInChI=1S/C19H19BrClNO2/c1-19(2)16(11-4-6-12(20)7-5-11)17(19)22-18(23)14-10-13(21)8-9-15(14)24-3/h4-10,16-17H,1-3H3,(H,22,23)
InChIKeyUUUXAEDUNXJCCZ-UHFFFAOYSA-N
MW408.72 g/mol
LogP5.03
Rot. Bonds4

About N-[3-(4-bromophenyl)-2,2-dimethylcyclopropyl]-5-chloro-2-methoxybenzamide

N-[3-(4-bromophenyl)-2,2-dimethylcyclopropyl]-5-chloro-2-methoxybenzamide (PubChem CID 68582335) has the molecular formula C19H19BrClNO2 and a molecular weight of 408.72 g/mol. Its IUPAC name is N-[3-(4-bromophenyl)-2,2-dimethylcyclopropyl]-5-chloro-2-methoxybenzamide.

Molecular Properties

Compound NameN-[3-(4-bromophenyl)-2,2-dimethylcyclopropyl]-5-chloro-2-methoxybenzamide
PubChem CID68582335
Molecular FormulaC19H19BrClNO2
Molecular Weight408.72 g/mol
Exact Mass407.03
IUPAC NameN-[3-(4-bromophenyl)-2,2-dimethylcyclopropyl]-5-chloro-2-methoxybenzamide
SMILESCOc1ccc(Cl)cc1C(=O)NC1C(c2ccc(Br)cc2)C1(C)C
InChIInChI=1S/C19H19BrClNO2/c1-19(2)16(11-4-6-12(20)7-5-11)17(19)22-18(23)14-10-13(21)8-9-15(14)24-3/h4-10,16-17H,1-3H3,(H,22,23)
InChIKeyUUUXAEDUNXJCCZ-UHFFFAOYSA-N
XLogP5.03
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.72
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3R)-3-(4-chlorophenyl)-2,2-dimethylcyclopropyl]-2-methoxy-5-methylbenzamide
CID 143783759
5-chloro-N-[(1S,3R)-2,2-dimethyl-3-(4-sulfamoylphenyl)cyclopropyl]-2-methoxybenzamide
CID 25222733
2-methoxy-N-[(1R,3S)-3-(4-methoxyphenyl)-2,2-dimethylcyclopropyl]-5-methylbenzamide
CID 68584463
N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-5-chloro-2-methoxybenzamide
CID 79698778
5-chloro-N-[(1S,3S)-2,2-dimethyl-3-[4-(methylsulfamoyl)phenyl]cyclopropyl]-2,4-dimethoxybenzamide
CID 68581962
5-chloro-N'-(5-chloro-2-methoxybenzoyl)-2-methoxybenzohydrazide
CID 7922079
N'-(4-bromo-2-fluorobenzoyl)-5-chloro-2-methoxybenzohydrazide
CID 9085244
5-chloro-2-methoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide
CID 848313
N-[1-(4-bromophenyl)ethylideneamino]-5-chloro-2-methoxybenzamide
CID 3698844
N-(azetidin-3-yl)-5-chloro-2-methoxybenzamide
CID 66186533
N-(2-aminocyclopropyl)-5-chloro-2-methoxybenzamide
CID 43593837
5-chloro-N-[(1R,2R)-2-hydroxycyclohexyl]-2-methoxybenzamide
CID 94413829

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-bromophenyl)-2,2-dimethylcyclopropyl]-5-chloro-2-methoxybenzamide?
The IUPAC name of N-[3-(4-bromophenyl)-2,2-dimethylcyclopropyl]-5-chloro-2-methoxybenzamide (CID 68582335) is N-[3-(4-bromophenyl)-2,2-dimethylcyclopropyl]-5-chloro-2-methoxybenzamide.
What is the SMILES notation for N-[3-(4-bromophenyl)-2,2-dimethylcyclopropyl]-5-chloro-2-methoxybenzamide?
The canonical SMILES for N-[3-(4-bromophenyl)-2,2-dimethylcyclopropyl]-5-chloro-2-methoxybenzamide is COc1ccc(Cl)cc1C(=O)NC1C(c2ccc(Br)cc2)C1(C)C.
What is the InChIKey of N-[3-(4-bromophenyl)-2,2-dimethylcyclopropyl]-5-chloro-2-methoxybenzamide?
The InChIKey is UUUXAEDUNXJCCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19BrClNO2/c1-19(2)16(11-4-6-12(20)7-5-11)17(19)22-18(23)14-10-13(21)8-9-15(14)24-3/h4-10,16-17H,1-3H3,(H,22,23).
What are the key properties of N-[3-(4-bromophenyl)-2,2-dimethylcyclopropyl]-5-chloro-2-methoxybenzamide?
N-[3-(4-bromophenyl)-2,2-dimethylcyclopropyl]-5-chloro-2-methoxybenzamide has a molecular weight of 408.72 g/mol, XLogP of 5.03, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-bromophenyl)-2,2-dimethylcyclopropyl]-5-chloro-2-methoxybenzamide is sourced from PubChem (CID 68582335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).