N-[2-chloro-5-(methylcarbamoyl)phenyl]-1-(furan-2-carbonyl)piperidine-2-carboxamide

C19H20ClN3O4 — CID 87046974

IUPACN-[2-chloro-5-(methylcarbamoyl)phenyl]-1-(furan-2-carbonyl)piperidine-2-carboxamide
SMILESCNC(=O)c1ccc(Cl)c(NC(=O)C2CCCCN2C(=O)c2ccco2)c1
InChIInChI=1S/C19H20ClN3O4/c1-21-17(24)12-7-8-13(20)14(11-12)22-18(25)15-5-2-3-9-23(15)19(26)16-6-4-10-27-16/h4,6-8,10-11,15H,2-3,5,9H2,1H3,(H,21,24)(H,22,25)
InChIKeyQRHCHNPCORJKLC-UHFFFAOYSA-N
MW389.84 g/mol
LogP2.93
Rot. Bonds4

About N-[2-chloro-5-(methylcarbamoyl)phenyl]-1-(furan-2-carbonyl)piperidine-2-carboxamide

N-[2-chloro-5-(methylcarbamoyl)phenyl]-1-(furan-2-carbonyl)piperidine-2-carboxamide (PubChem CID 87046974) has the molecular formula C19H20ClN3O4 and a molecular weight of 389.84 g/mol. Its IUPAC name is N-[2-chloro-5-(methylcarbamoyl)phenyl]-1-(furan-2-carbonyl)piperidine-2-carboxamide.

Molecular Properties

Compound NameN-[2-chloro-5-(methylcarbamoyl)phenyl]-1-(furan-2-carbonyl)piperidine-2-carboxamide
PubChem CID87046974
Molecular FormulaC19H20ClN3O4
Molecular Weight389.84 g/mol
Exact Mass389.11
IUPAC NameN-[2-chloro-5-(methylcarbamoyl)phenyl]-1-(furan-2-carbonyl)piperidine-2-carboxamide
SMILESCNC(=O)c1ccc(Cl)c(NC(=O)C2CCCCN2C(=O)c2ccco2)c1
InChIInChI=1S/C19H20ClN3O4/c1-21-17(24)12-7-8-13(20)14(11-12)22-18(25)15-5-2-3-9-23(15)19(26)16-6-4-10-27-16/h4,6-8,10-11,15H,2-3,5,9H2,1H3,(H,21,24)(H,22,25)
InChIKeyQRHCHNPCORJKLC-UHFFFAOYSA-N
XLogP2.93
TPSA91.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.84
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-(4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide
CID 55942636
(2S)-1-(furan-2-carbonyl)-N-(2-methyl-4-pyridinyl)piperidine-2-carboxamide
CID 96526953
(2S)-N-[5-(cyclopropanecarbonylamino)-2-methylphenyl]-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide
CID 55940765
(2R)-N-(3-acetamidophenyl)-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide
CID 51980891
methyl 4-chloro-3-[[1-(thiophene-2-carbonyl)piperidine-2-carbonyl]amino]benzoate
CID 78844646
N-[[4-(ethylcarbamoyl)phenyl]methyl]-1-(furan-2-carbonyl)piperidine-2-carboxamide
CID 136578492
N-[(2,4-dichlorophenyl)methyl]-1-(furan-2-carbonyl)piperidine-2-carboxamide
CID 55973603
methyl 2-[3-[[(2R)-1-(furan-2-carbonyl)piperidine-2-carbonyl]amino]phenyl]acetate
CID 99589299
ethyl 3-[[1-(furan-2-carbonyl)piperidine-2-carbonyl]amino]benzoate
CID 60551969
(2R)-N-(3-carbamoylphenyl)-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide
CID 32821866
N-(3-carbamoylphenyl)-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide
CID 24659016
2-[4-[[1-(furan-2-carbonyl)piperidine-2-carbonyl]amino]phenyl]-2-methylpropanoic acid
CID 119254206

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-(methylcarbamoyl)phenyl]-1-(furan-2-carbonyl)piperidine-2-carboxamide?
The IUPAC name of N-[2-chloro-5-(methylcarbamoyl)phenyl]-1-(furan-2-carbonyl)piperidine-2-carboxamide (CID 87046974) is N-[2-chloro-5-(methylcarbamoyl)phenyl]-1-(furan-2-carbonyl)piperidine-2-carboxamide.
What is the SMILES notation for N-[2-chloro-5-(methylcarbamoyl)phenyl]-1-(furan-2-carbonyl)piperidine-2-carboxamide?
The canonical SMILES for N-[2-chloro-5-(methylcarbamoyl)phenyl]-1-(furan-2-carbonyl)piperidine-2-carboxamide is CNC(=O)c1ccc(Cl)c(NC(=O)C2CCCCN2C(=O)c2ccco2)c1.
What is the InChIKey of N-[2-chloro-5-(methylcarbamoyl)phenyl]-1-(furan-2-carbonyl)piperidine-2-carboxamide?
The InChIKey is QRHCHNPCORJKLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3O4/c1-21-17(24)12-7-8-13(20)14(11-12)22-18(25)15-5-2-3-9-23(15)19(26)16-6-4-10-27-16/h4,6-8,10-11,15H,2-3,5,9H2,1H3,(H,21,24)(H,22,25).
What are the key properties of N-[2-chloro-5-(methylcarbamoyl)phenyl]-1-(furan-2-carbonyl)piperidine-2-carboxamide?
N-[2-chloro-5-(methylcarbamoyl)phenyl]-1-(furan-2-carbonyl)piperidine-2-carboxamide has a molecular weight of 389.84 g/mol, XLogP of 2.93, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-(methylcarbamoyl)phenyl]-1-(furan-2-carbonyl)piperidine-2-carboxamide is sourced from PubChem (CID 87046974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).