N-[2-chloro-4-[[methyl-[1-(1-methylpiperidin-4-yl)ethyl]carbamoyl]amino]phenyl]furan-2-carboxamide

C21H27ClN4O3 — CID 75449791

IUPACN-[2-chloro-4-[[methyl-[1-(1-methylpiperidin-4-yl)ethyl]carbamoyl]amino]phenyl]furan-2-carboxamide
SMILESCC(C1CCN(C)CC1)N(C)C(=O)Nc1ccc(NC(=O)c2ccco2)c(Cl)c1
InChIInChI=1S/C21H27ClN4O3/c1-14(15-8-10-25(2)11-9-15)26(3)21(28)23-16-6-7-18(17(22)13-16)24-20(27)19-5-4-12-29-19/h4-7,12-15H,8-11H2,1-3H3,(H,23,28)(H,24,27)
InChIKeyBIDAMNRREQSATP-UHFFFAOYSA-N
MW418.93 g/mol
LogP4.38
Rot. Bonds5

About N-[2-chloro-4-[[methyl-[1-(1-methylpiperidin-4-yl)ethyl]carbamoyl]amino]phenyl]furan-2-carboxamide

N-[2-chloro-4-[[methyl-[1-(1-methylpiperidin-4-yl)ethyl]carbamoyl]amino]phenyl]furan-2-carboxamide (PubChem CID 75449791) has the molecular formula C21H27ClN4O3 and a molecular weight of 418.93 g/mol. Its IUPAC name is N-[2-chloro-4-[[methyl-[1-(1-methylpiperidin-4-yl)ethyl]carbamoyl]amino]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-chloro-4-[[methyl-[1-(1-methylpiperidin-4-yl)ethyl]carbamoyl]amino]phenyl]furan-2-carboxamide
PubChem CID75449791
Molecular FormulaC21H27ClN4O3
Molecular Weight418.93 g/mol
Exact Mass418.18
IUPAC NameN-[2-chloro-4-[[methyl-[1-(1-methylpiperidin-4-yl)ethyl]carbamoyl]amino]phenyl]furan-2-carboxamide
SMILESCC(C1CCN(C)CC1)N(C)C(=O)Nc1ccc(NC(=O)c2ccco2)c(Cl)c1
InChIInChI=1S/C21H27ClN4O3/c1-14(15-8-10-25(2)11-9-15)26(3)21(28)23-16-6-7-18(17(22)13-16)24-20(27)19-5-4-12-29-19/h4-7,12-15H,8-11H2,1-3H3,(H,23,28)(H,24,27)
InChIKeyBIDAMNRREQSATP-UHFFFAOYSA-N
XLogP4.38
TPSA77.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.93
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-chloro-4-[(2-chlorobenzoyl)amino]phenyl]furan-2-carboxamide
CID 4308074
N-[3-chloro-4-(4-ethylpiperidin-1-yl)phenyl]furan-2-carboxamide
CID 122182201
N-[3-chloro-4-(furan-2-carbonylamino)phenyl]-4-(furan-2-carbonyl)piperazine-1-carboxamide
CID 60545586
N-[2-chloro-4-[(3,4-dimethylbenzoyl)amino]phenyl]furan-2-carboxamide
CID 1365415
N-[2-chloro-4-[(3-chlorobenzoyl)amino]phenyl]furan-2-carboxamide
CID 171982278
N-[3-chloro-4-(furan-2-carbonylamino)phenyl]-5-(3,4-dimethylphenyl)furan-2-carboxamide
CID 2968821
N-[3-chloro-4-[(2-phenylacetyl)amino]phenyl]furan-2-carboxamide
CID 3132085
N-[4-(4-acetylpiperazin-1-yl)-3-chlorophenyl]furan-2-carboxamide
CID 2993823
N-[3-chloro-4-(4-ethylpiperazin-4-ium-1-yl)phenyl]furan-2-carboxamide
CID 6957201
N-[2-chloro-4-[(5-methyl-2-oxooxolan-3-yl)amino]phenyl]furan-2-carboxamide
CID 154748555
N-[3-chloro-4-(dimethylcarbamoyl)phenyl]furan-2-carboxamide
CID 47385052
N-(2,4-dichlorophenyl)furan-2-carboxamide
CID 3105425

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-4-[[methyl-[1-(1-methylpiperidin-4-yl)ethyl]carbamoyl]amino]phenyl]furan-2-carboxamide?
The IUPAC name of N-[2-chloro-4-[[methyl-[1-(1-methylpiperidin-4-yl)ethyl]carbamoyl]amino]phenyl]furan-2-carboxamide (CID 75449791) is N-[2-chloro-4-[[methyl-[1-(1-methylpiperidin-4-yl)ethyl]carbamoyl]amino]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-chloro-4-[[methyl-[1-(1-methylpiperidin-4-yl)ethyl]carbamoyl]amino]phenyl]furan-2-carboxamide?
The canonical SMILES for N-[2-chloro-4-[[methyl-[1-(1-methylpiperidin-4-yl)ethyl]carbamoyl]amino]phenyl]furan-2-carboxamide is CC(C1CCN(C)CC1)N(C)C(=O)Nc1ccc(NC(=O)c2ccco2)c(Cl)c1.
What is the InChIKey of N-[2-chloro-4-[[methyl-[1-(1-methylpiperidin-4-yl)ethyl]carbamoyl]amino]phenyl]furan-2-carboxamide?
The InChIKey is BIDAMNRREQSATP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27ClN4O3/c1-14(15-8-10-25(2)11-9-15)26(3)21(28)23-16-6-7-18(17(22)13-16)24-20(27)19-5-4-12-29-19/h4-7,12-15H,8-11H2,1-3H3,(H,23,28)(H,24,27).
What are the key properties of N-[2-chloro-4-[[methyl-[1-(1-methylpiperidin-4-yl)ethyl]carbamoyl]amino]phenyl]furan-2-carboxamide?
N-[2-chloro-4-[[methyl-[1-(1-methylpiperidin-4-yl)ethyl]carbamoyl]amino]phenyl]furan-2-carboxamide has a molecular weight of 418.93 g/mol, XLogP of 4.38, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-4-[[methyl-[1-(1-methylpiperidin-4-yl)ethyl]carbamoyl]amino]phenyl]furan-2-carboxamide is sourced from PubChem (CID 75449791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).