1-amino-N-[3-chloro-4-(3-oxomorpholin-4-yl)phenyl]cyclohexane-1-carboxamide

C17H22ClN3O3 — CID 69053661

IUPAC1-amino-N-[3-chloro-4-(3-oxomorpholin-4-yl)phenyl]cyclohexane-1-carboxamide
SMILESNC1(C(=O)Nc2ccc(N3CCOCC3=O)c(Cl)c2)CCCCC1
InChIInChI=1S/C17H22ClN3O3/c18-13-10-12(20-16(23)17(19)6-2-1-3-7-17)4-5-14(13)21-8-9-24-11-15(21)22/h4-5,10H,1-3,6-9,11,19H2,(H,20,23)
InChIKeyZWJHPSLHTLKAED-UHFFFAOYSA-N
MW351.83 g/mol
LogP2.30
Rot. Bonds3

About 1-amino-N-[3-chloro-4-(3-oxomorpholin-4-yl)phenyl]cyclohexane-1-carboxamide

1-amino-N-[3-chloro-4-(3-oxomorpholin-4-yl)phenyl]cyclohexane-1-carboxamide (PubChem CID 69053661) has the molecular formula C17H22ClN3O3 and a molecular weight of 351.83 g/mol. Its IUPAC name is 1-amino-N-[3-chloro-4-(3-oxomorpholin-4-yl)phenyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-[3-chloro-4-(3-oxomorpholin-4-yl)phenyl]cyclohexane-1-carboxamide
PubChem CID69053661
Molecular FormulaC17H22ClN3O3
Molecular Weight351.83 g/mol
Exact Mass351.13
IUPAC Name1-amino-N-[3-chloro-4-(3-oxomorpholin-4-yl)phenyl]cyclohexane-1-carboxamide
SMILESNC1(C(=O)Nc2ccc(N3CCOCC3=O)c(Cl)c2)CCCCC1
InChIInChI=1S/C17H22ClN3O3/c18-13-10-12(20-16(23)17(19)6-2-1-3-7-17)4-5-14(13)21-8-9-24-11-15(21)22/h4-5,10H,1-3,6-9,11,19H2,(H,20,23)
InChIKeyZWJHPSLHTLKAED-UHFFFAOYSA-N
XLogP2.30
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.83
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-amino-N-[3-nitro-4-(3-oxomorpholin-4-yl)phenyl]cyclopentane-1-carboxamide
CID 87847825
tert-butyl 2-amino-1-[[3-chloro-4-(3-oxomorpholin-4-yl)phenyl]carbamoyl]cyclohexane-1-carboxylate
CID 69054934
1-amino-N-(3-chloro-4-methylphenyl)cyclopentane-1-carboxamide
CID 60867567
3-[(5-bromothiophene-2-carbonyl)amino]-N-[3-chloro-4-(3-oxomorpholin-4-yl)phenyl]oxetane-3-carboxamide
CID 69053440
1-amino-N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)cyclopentane-1-carboxamide
CID 119265809
N-(4-acetamido-3-chlorophenyl)-1-aminocyclohexane-1-carboxamide;hydrochloride
CID 119276950
1-amino-N-(3-chloro-4-cyanophenyl)cyclohexane-1-carboxamide
CID 43348137
4-[4-[[[3-chloro-4-(3-oxomorpholin-4-yl)phenyl]carbamoylamino]methyl]phenoxy]pyridine-2-carboxylic acid
CID 118293390
1-amino-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)cyclohexane-1-carboxamide;hydrochloride
CID 119264839
1-amino-N-(3,5-dichloro-4-fluorophenyl)cyclohexane-1-carboxamide
CID 107574452
1-amino-N-[3-chloro-4-(piperidine-1-carbonyl)phenyl]cyclopropane-1-carboxamide
CID 119776900
1-amino-N-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]cyclohexane-1-carboxamide
CID 119283363

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[3-chloro-4-(3-oxomorpholin-4-yl)phenyl]cyclohexane-1-carboxamide?
The IUPAC name of 1-amino-N-[3-chloro-4-(3-oxomorpholin-4-yl)phenyl]cyclohexane-1-carboxamide (CID 69053661) is 1-amino-N-[3-chloro-4-(3-oxomorpholin-4-yl)phenyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 1-amino-N-[3-chloro-4-(3-oxomorpholin-4-yl)phenyl]cyclohexane-1-carboxamide?
The canonical SMILES for 1-amino-N-[3-chloro-4-(3-oxomorpholin-4-yl)phenyl]cyclohexane-1-carboxamide is NC1(C(=O)Nc2ccc(N3CCOCC3=O)c(Cl)c2)CCCCC1.
What is the InChIKey of 1-amino-N-[3-chloro-4-(3-oxomorpholin-4-yl)phenyl]cyclohexane-1-carboxamide?
The InChIKey is ZWJHPSLHTLKAED-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClN3O3/c18-13-10-12(20-16(23)17(19)6-2-1-3-7-17)4-5-14(13)21-8-9-24-11-15(21)22/h4-5,10H,1-3,6-9,11,19H2,(H,20,23).
What are the key properties of 1-amino-N-[3-chloro-4-(3-oxomorpholin-4-yl)phenyl]cyclohexane-1-carboxamide?
1-amino-N-[3-chloro-4-(3-oxomorpholin-4-yl)phenyl]cyclohexane-1-carboxamide has a molecular weight of 351.83 g/mol, XLogP of 2.30, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[3-chloro-4-(3-oxomorpholin-4-yl)phenyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 69053661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).