N-[4-chloro-2-(pyrrolidine-1-carbonyl)phenyl]-4-ethoxy-3-methoxybenzamide

C21H23ClN2O4 — CID 55726971

IUPACN-[4-chloro-2-(pyrrolidine-1-carbonyl)phenyl]-4-ethoxy-3-methoxybenzamide
SMILESCCOc1ccc(C(=O)Nc2ccc(Cl)cc2C(=O)N2CCCC2)cc1OC
InChIInChI=1S/C21H23ClN2O4/c1-3-28-18-9-6-14(12-19(18)27-2)20(25)23-17-8-7-15(22)13-16(17)21(26)24-10-4-5-11-24/h6-9,12-13H,3-5,10-11H2,1-2H3,(H,23,25)
InChIKeyHQXQXXDRUPZHFD-UHFFFAOYSA-N
MW402.88 g/mol
LogP4.24
Rot. Bonds6

About N-[4-chloro-2-(pyrrolidine-1-carbonyl)phenyl]-4-ethoxy-3-methoxybenzamide

N-[4-chloro-2-(pyrrolidine-1-carbonyl)phenyl]-4-ethoxy-3-methoxybenzamide (PubChem CID 55726971) has the molecular formula C21H23ClN2O4 and a molecular weight of 402.88 g/mol. Its IUPAC name is N-[4-chloro-2-(pyrrolidine-1-carbonyl)phenyl]-4-ethoxy-3-methoxybenzamide.

Molecular Properties

Compound NameN-[4-chloro-2-(pyrrolidine-1-carbonyl)phenyl]-4-ethoxy-3-methoxybenzamide
PubChem CID55726971
Molecular FormulaC21H23ClN2O4
Molecular Weight402.88 g/mol
Exact Mass402.13
IUPAC NameN-[4-chloro-2-(pyrrolidine-1-carbonyl)phenyl]-4-ethoxy-3-methoxybenzamide
SMILESCCOc1ccc(C(=O)Nc2ccc(Cl)cc2C(=O)N2CCCC2)cc1OC
InChIInChI=1S/C21H23ClN2O4/c1-3-28-18-9-6-14(12-19(18)27-2)20(25)23-17-8-7-15(22)13-16(17)21(26)24-10-4-5-11-24/h6-9,12-13H,3-5,10-11H2,1-2H3,(H,23,25)
InChIKeyHQXQXXDRUPZHFD-UHFFFAOYSA-N
XLogP4.24
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.88
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-chloro-2-(pyrrolidine-1-carbonyl)phenyl]-3-methoxy-4-methylbenzamide
CID 55776820
3-chloro-4-ethoxy-N-[2-(piperidine-1-carbonyl)phenyl]benzamide
CID 100774361
N-[4-chloro-2-(pyrrolidine-1-carbonyl)phenyl]-2-(2,5-dimethoxyphenyl)acetamide
CID 78888980
N-[4-[4-chloro-2-(pyrrolidine-1-carbonyl)anilino]-4-oxobutyl]-2-ethoxybenzamide
CID 55727316
[4-(5-chloro-2-methoxybenzoyl)piperazin-1-yl]-(3,4-dimethoxyphenyl)methanone
CID 33000048
N'-[2-(5-chloro-2-methoxyphenyl)acetyl]-4-ethoxy-3-methoxybenzohydrazide
CID 9090512
N-[4-chloro-2-[(3S)-3-methylpiperidine-1-carbonyl]phenyl]-4-methoxybenzamide
CID 991429
N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-3-ethoxy-4-methoxybenzamide
CID 35355595
N-[4-[4-(5-chloro-2-methoxybenzoyl)piperazin-1-yl]phenyl]-3,4,5-triethoxybenzamide
CID 17092762
4-chloro-N-[3-[4-chloro-2-(pyrrolidine-1-carbonyl)anilino]-3-oxopropyl]benzamide
CID 55727373
dimethyl (E)-2-[4-chloro-2-(piperidine-1-carbonyl)anilino]but-2-enedioate
CID 168569953
N'-[2-[4-(5-chloro-2-fluorobenzoyl)piperazin-1-yl]acetyl]-3,4-dimethoxybenzohydrazide
CID 55842315

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-2-(pyrrolidine-1-carbonyl)phenyl]-4-ethoxy-3-methoxybenzamide?
The IUPAC name of N-[4-chloro-2-(pyrrolidine-1-carbonyl)phenyl]-4-ethoxy-3-methoxybenzamide (CID 55726971) is N-[4-chloro-2-(pyrrolidine-1-carbonyl)phenyl]-4-ethoxy-3-methoxybenzamide.
What is the SMILES notation for N-[4-chloro-2-(pyrrolidine-1-carbonyl)phenyl]-4-ethoxy-3-methoxybenzamide?
The canonical SMILES for N-[4-chloro-2-(pyrrolidine-1-carbonyl)phenyl]-4-ethoxy-3-methoxybenzamide is CCOc1ccc(C(=O)Nc2ccc(Cl)cc2C(=O)N2CCCC2)cc1OC.
What is the InChIKey of N-[4-chloro-2-(pyrrolidine-1-carbonyl)phenyl]-4-ethoxy-3-methoxybenzamide?
The InChIKey is HQXQXXDRUPZHFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN2O4/c1-3-28-18-9-6-14(12-19(18)27-2)20(25)23-17-8-7-15(22)13-16(17)21(26)24-10-4-5-11-24/h6-9,12-13H,3-5,10-11H2,1-2H3,(H,23,25).
What are the key properties of N-[4-chloro-2-(pyrrolidine-1-carbonyl)phenyl]-4-ethoxy-3-methoxybenzamide?
N-[4-chloro-2-(pyrrolidine-1-carbonyl)phenyl]-4-ethoxy-3-methoxybenzamide has a molecular weight of 402.88 g/mol, XLogP of 4.24, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-2-(pyrrolidine-1-carbonyl)phenyl]-4-ethoxy-3-methoxybenzamide is sourced from PubChem (CID 55726971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).