N-[3-[[(3-chlorophenyl)carbamoylamino]methyl]phenyl]oxolane-2-carboxamide

C19H20ClN3O3 — CID 60586470

IUPACN-[3-[[(3-chlorophenyl)carbamoylamino]methyl]phenyl]oxolane-2-carboxamide
SMILESO=C(NCc1cccc(NC(=O)C2CCCO2)c1)Nc1cccc(Cl)c1
InChIInChI=1S/C19H20ClN3O3/c20-14-5-2-7-16(11-14)23-19(25)21-12-13-4-1-6-15(10-13)22-18(24)17-8-3-9-26-17/h1-2,4-7,10-11,17H,3,8-9,12H2,(H,22,24)(H2,21,23,25)
InChIKeySSWRALHHQACQMW-UHFFFAOYSA-N
MW373.84 g/mol
LogP3.78
Rot. Bonds5

About N-[3-[[(3-chlorophenyl)carbamoylamino]methyl]phenyl]oxolane-2-carboxamide

N-[3-[[(3-chlorophenyl)carbamoylamino]methyl]phenyl]oxolane-2-carboxamide (PubChem CID 60586470) has the molecular formula C19H20ClN3O3 and a molecular weight of 373.84 g/mol. Its IUPAC name is N-[3-[[(3-chlorophenyl)carbamoylamino]methyl]phenyl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[3-[[(3-chlorophenyl)carbamoylamino]methyl]phenyl]oxolane-2-carboxamide
PubChem CID60586470
Molecular FormulaC19H20ClN3O3
Molecular Weight373.84 g/mol
Exact Mass373.12
IUPAC NameN-[3-[[(3-chlorophenyl)carbamoylamino]methyl]phenyl]oxolane-2-carboxamide
SMILESO=C(NCc1cccc(NC(=O)C2CCCO2)c1)Nc1cccc(Cl)c1
InChIInChI=1S/C19H20ClN3O3/c20-14-5-2-7-16(11-14)23-19(25)21-12-13-4-1-6-15(10-13)22-18(24)17-8-3-9-26-17/h1-2,4-7,10-11,17H,3,8-9,12H2,(H,22,24)(H2,21,23,25)
InChIKeySSWRALHHQACQMW-UHFFFAOYSA-N
XLogP3.78
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.84
LogP ≤ 53.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[[(3-methylphenyl)methylcarbamoylamino]methyl]phenyl]oxolane-2-carboxamide
CID 47758963
N-[3-[[[N-[(2,4-dichlorophenyl)methyl]-N'-methylcarbamimidoyl]amino]methyl]phenyl]oxolane-2-carboxamide
CID 111198010
N-[(3-chlorophenyl)methyl]oxolane-2-carboxamide
CID 2971265
N-[3-(methylaminomethyl)phenyl]oxolane-2-carboxamide
CID 43601839
4-[[3-(oxolane-2-carbonylamino)phenyl]methylcarbamoyl]benzoic acid
CID 119182538
(2R)-N-[3-[[(3,5-dichloro-2-pyridinyl)amino]methyl]phenyl]oxolane-2-carboxamide
CID 100663858
N-[3-[[(N,N'-dimethylcarbamimidoyl)amino]methyl]phenyl]oxolane-2-carboxamide
CID 110918378
N-[3-[(4-aminobutanoylamino)methyl]phenyl]oxolane-2-carboxamide;hydrochloride
CID 119305213
N-[3-[[[(2R)-2-aminopropanoyl]amino]methyl]phenyl]oxolane-2-carboxamide;hydrochloride
CID 119305205
N-[[3-(oxolane-2-carbonylamino)phenyl]methyl]pyrrolidine-3-carboxamide
CID 119752027
(2S)-N-[3-[[(2S)-oxolane-2-carbonyl]amino]phenyl]oxolane-2-carboxamide
CID 7027817
N-[3-(benzylcarbamoyl)phenyl]oxolane-2-carboxamide
CID 2971215

Frequently Asked Questions

What is the IUPAC name of N-[3-[[(3-chlorophenyl)carbamoylamino]methyl]phenyl]oxolane-2-carboxamide?
The IUPAC name of N-[3-[[(3-chlorophenyl)carbamoylamino]methyl]phenyl]oxolane-2-carboxamide (CID 60586470) is N-[3-[[(3-chlorophenyl)carbamoylamino]methyl]phenyl]oxolane-2-carboxamide.
What is the SMILES notation for N-[3-[[(3-chlorophenyl)carbamoylamino]methyl]phenyl]oxolane-2-carboxamide?
The canonical SMILES for N-[3-[[(3-chlorophenyl)carbamoylamino]methyl]phenyl]oxolane-2-carboxamide is O=C(NCc1cccc(NC(=O)C2CCCO2)c1)Nc1cccc(Cl)c1.
What is the InChIKey of N-[3-[[(3-chlorophenyl)carbamoylamino]methyl]phenyl]oxolane-2-carboxamide?
The InChIKey is SSWRALHHQACQMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3O3/c20-14-5-2-7-16(11-14)23-19(25)21-12-13-4-1-6-15(10-13)22-18(24)17-8-3-9-26-17/h1-2,4-7,10-11,17H,3,8-9,12H2,(H,22,24)(H2,21,23,25).
What are the key properties of N-[3-[[(3-chlorophenyl)carbamoylamino]methyl]phenyl]oxolane-2-carboxamide?
N-[3-[[(3-chlorophenyl)carbamoylamino]methyl]phenyl]oxolane-2-carboxamide has a molecular weight of 373.84 g/mol, XLogP of 3.78, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[(3-chlorophenyl)carbamoylamino]methyl]phenyl]oxolane-2-carboxamide is sourced from PubChem (CID 60586470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).