N-[4-chloro-2-(pyrrolidine-1-carbonyl)phenyl]-3-methoxy-4-methylbenzamide

C20H21ClN2O3 — CID 55776820

IUPACN-[4-chloro-2-(pyrrolidine-1-carbonyl)phenyl]-3-methoxy-4-methylbenzamide
SMILESCOc1cc(C(=O)Nc2ccc(Cl)cc2C(=O)N2CCCC2)ccc1C
InChIInChI=1S/C20H21ClN2O3/c1-13-5-6-14(11-18(13)26-2)19(24)22-17-8-7-15(21)12-16(17)20(25)23-9-3-4-10-23/h5-8,11-12H,3-4,9-10H2,1-2H3,(H,22,24)
InChIKeyYLXQROOEALXMFI-UHFFFAOYSA-N
MW372.85 g/mol
LogP4.15
Rot. Bonds4

About N-[4-chloro-2-(pyrrolidine-1-carbonyl)phenyl]-3-methoxy-4-methylbenzamide

N-[4-chloro-2-(pyrrolidine-1-carbonyl)phenyl]-3-methoxy-4-methylbenzamide (PubChem CID 55776820) has the molecular formula C20H21ClN2O3 and a molecular weight of 372.85 g/mol. Its IUPAC name is N-[4-chloro-2-(pyrrolidine-1-carbonyl)phenyl]-3-methoxy-4-methylbenzamide.

Molecular Properties

Compound NameN-[4-chloro-2-(pyrrolidine-1-carbonyl)phenyl]-3-methoxy-4-methylbenzamide
PubChem CID55776820
Molecular FormulaC20H21ClN2O3
Molecular Weight372.85 g/mol
Exact Mass372.12
IUPAC NameN-[4-chloro-2-(pyrrolidine-1-carbonyl)phenyl]-3-methoxy-4-methylbenzamide
SMILESCOc1cc(C(=O)Nc2ccc(Cl)cc2C(=O)N2CCCC2)ccc1C
InChIInChI=1S/C20H21ClN2O3/c1-13-5-6-14(11-18(13)26-2)19(24)22-17-8-7-15(21)12-16(17)20(25)23-9-3-4-10-23/h5-8,11-12H,3-4,9-10H2,1-2H3,(H,22,24)
InChIKeyYLXQROOEALXMFI-UHFFFAOYSA-N
XLogP4.15
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.85
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-chloro-2-(pyrrolidine-1-carbonyl)phenyl]-4-ethoxy-3-methoxybenzamide
CID 55726971
N-(4-chloro-2-fluorophenyl)-3-methoxy-4-methylbenzamide
CID 26690340
N-[4-chloro-2-(pyrrolidine-1-carbonyl)phenyl]-2-(2,5-dimethoxyphenyl)acetamide
CID 78888980
N-(5-chloro-2-methylphenyl)-4-(piperidine-1-carbonyl)benzamide
CID 109044656
3-methoxy-4-methyl-N-(2-methyl-4-pyrrolidin-1-ylphenyl)benzamide
CID 42039924
N-[4-chloro-2-[(3S)-3-methylpiperidine-1-carbonyl]phenyl]-4-methoxybenzamide
CID 991429
N-[4-chloro-2-(pyrrolidine-1-carbonyl)phenyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 55727033
[4-(5-chloro-2-methoxybenzoyl)piperazin-1-yl]-(3,4-dimethylphenyl)methanone
CID 108535373
N-[4-chloro-2-(pyrrolidine-1-carbonyl)phenyl]-3-nitrobenzamide
CID 1313581
N-[4,5-dimethoxy-2-(piperidine-1-carbonyl)phenyl]-3-methoxybenzamide
CID 55639792
4-chloro-N-[3-[4-chloro-2-(pyrrolidine-1-carbonyl)anilino]-3-oxopropyl]benzamide
CID 55727373
3-chloro-4,5-dimethoxy-N-[2-(piperidine-1-carbonyl)phenyl]benzamide
CID 26905325

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-2-(pyrrolidine-1-carbonyl)phenyl]-3-methoxy-4-methylbenzamide?
The IUPAC name of N-[4-chloro-2-(pyrrolidine-1-carbonyl)phenyl]-3-methoxy-4-methylbenzamide (CID 55776820) is N-[4-chloro-2-(pyrrolidine-1-carbonyl)phenyl]-3-methoxy-4-methylbenzamide.
What is the SMILES notation for N-[4-chloro-2-(pyrrolidine-1-carbonyl)phenyl]-3-methoxy-4-methylbenzamide?
The canonical SMILES for N-[4-chloro-2-(pyrrolidine-1-carbonyl)phenyl]-3-methoxy-4-methylbenzamide is COc1cc(C(=O)Nc2ccc(Cl)cc2C(=O)N2CCCC2)ccc1C.
What is the InChIKey of N-[4-chloro-2-(pyrrolidine-1-carbonyl)phenyl]-3-methoxy-4-methylbenzamide?
The InChIKey is YLXQROOEALXMFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN2O3/c1-13-5-6-14(11-18(13)26-2)19(24)22-17-8-7-15(21)12-16(17)20(25)23-9-3-4-10-23/h5-8,11-12H,3-4,9-10H2,1-2H3,(H,22,24).
What are the key properties of N-[4-chloro-2-(pyrrolidine-1-carbonyl)phenyl]-3-methoxy-4-methylbenzamide?
N-[4-chloro-2-(pyrrolidine-1-carbonyl)phenyl]-3-methoxy-4-methylbenzamide has a molecular weight of 372.85 g/mol, XLogP of 4.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-2-(pyrrolidine-1-carbonyl)phenyl]-3-methoxy-4-methylbenzamide is sourced from PubChem (CID 55776820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).