N-[3-chloro-4-(furan-2-carbonylamino)phenyl]morpholine-2-carboxamide

C16H16ClN3O4 — CID 119743095

IUPACN-[3-chloro-4-(furan-2-carbonylamino)phenyl]morpholine-2-carboxamide
SMILESO=C(Nc1ccc(NC(=O)C2CNCCO2)cc1Cl)c1ccco1
InChIInChI=1S/C16H16ClN3O4/c17-11-8-10(19-16(22)14-9-18-5-7-24-14)3-4-12(11)20-15(21)13-2-1-6-23-13/h1-4,6,8,14,18H,5,7,9H2,(H,19,22)(H,20,21)
InChIKeyXZHUGYFUMQVPOD-UHFFFAOYSA-N
MW349.77 g/mol
LogP2.11
Rot. Bonds4

About N-[3-chloro-4-(furan-2-carbonylamino)phenyl]morpholine-2-carboxamide

N-[3-chloro-4-(furan-2-carbonylamino)phenyl]morpholine-2-carboxamide (PubChem CID 119743095) has the molecular formula C16H16ClN3O4 and a molecular weight of 349.77 g/mol. Its IUPAC name is N-[3-chloro-4-(furan-2-carbonylamino)phenyl]morpholine-2-carboxamide.

Molecular Properties

Compound NameN-[3-chloro-4-(furan-2-carbonylamino)phenyl]morpholine-2-carboxamide
PubChem CID119743095
Molecular FormulaC16H16ClN3O4
Molecular Weight349.77 g/mol
Exact Mass349.08
IUPAC NameN-[3-chloro-4-(furan-2-carbonylamino)phenyl]morpholine-2-carboxamide
SMILESO=C(Nc1ccc(NC(=O)C2CNCCO2)cc1Cl)c1ccco1
InChIInChI=1S/C16H16ClN3O4/c17-11-8-10(19-16(22)14-9-18-5-7-24-14)3-4-12(11)20-15(21)13-2-1-6-23-13/h1-4,6,8,14,18H,5,7,9H2,(H,19,22)(H,20,21)
InChIKeyXZHUGYFUMQVPOD-UHFFFAOYSA-N
XLogP2.11
TPSA92.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.77
LogP ≤ 52.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(furan-2-carbonylamino)-3-methylphenyl]morpholine-2-carboxamide;hydrochloride
CID 119743183
N-[4-[[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]amino]-2-chlorophenyl]furan-2-carboxamide;hydrochloride
CID 120789239
N-[2-chloro-4-[(2-chlorobenzoyl)amino]phenyl]furan-2-carboxamide
CID 4308074
N-(3-carbamoyl-4-chlorophenyl)morpholine-2-carboxamide;hydrochloride
CID 119711589
N-(2,4-dichlorophenyl)furan-2-carboxamide
CID 3105425
N-[2-chloro-4-[(3-chlorobenzoyl)amino]phenyl]furan-2-carboxamide
CID 171982278
N-(3-ethylphenyl)morpholine-2-carboxamide;hydrochloride
CID 119675709
N-[3-chloro-4-(furan-2-carbonylamino)phenyl]-4-(furan-2-carbonyl)piperazine-1-carboxamide
CID 60545586
N-[3-chloro-4-[(2-phenylacetyl)amino]phenyl]furan-2-carboxamide
CID 3132085
N-[3-[[(2S)-oxolane-2-carbonyl]amino]phenyl]furan-2-carboxamide
CID 860518
N-(4-chloro-2-methylphenyl)morpholine-2-carboxamide;hydrochloride
CID 119671690
N-[2-chloro-4-[(3,4-dimethylbenzoyl)amino]phenyl]furan-2-carboxamide
CID 1365415

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-(furan-2-carbonylamino)phenyl]morpholine-2-carboxamide?
The IUPAC name of N-[3-chloro-4-(furan-2-carbonylamino)phenyl]morpholine-2-carboxamide (CID 119743095) is N-[3-chloro-4-(furan-2-carbonylamino)phenyl]morpholine-2-carboxamide.
What is the SMILES notation for N-[3-chloro-4-(furan-2-carbonylamino)phenyl]morpholine-2-carboxamide?
The canonical SMILES for N-[3-chloro-4-(furan-2-carbonylamino)phenyl]morpholine-2-carboxamide is O=C(Nc1ccc(NC(=O)C2CNCCO2)cc1Cl)c1ccco1.
What is the InChIKey of N-[3-chloro-4-(furan-2-carbonylamino)phenyl]morpholine-2-carboxamide?
The InChIKey is XZHUGYFUMQVPOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3O4/c17-11-8-10(19-16(22)14-9-18-5-7-24-14)3-4-12(11)20-15(21)13-2-1-6-23-13/h1-4,6,8,14,18H,5,7,9H2,(H,19,22)(H,20,21).
What are the key properties of N-[3-chloro-4-(furan-2-carbonylamino)phenyl]morpholine-2-carboxamide?
N-[3-chloro-4-(furan-2-carbonylamino)phenyl]morpholine-2-carboxamide has a molecular weight of 349.77 g/mol, XLogP of 2.11, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-4-(furan-2-carbonylamino)phenyl]morpholine-2-carboxamide is sourced from PubChem (CID 119743095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).