N-[3-(1-aminocyclobutyl)phenyl]-2-(6,7-difluoro-9H-carbazol-2-yl)acetamide

C24H21F2N3O — CID 163300204

IUPACN-[3-(1-aminocyclobutyl)phenyl]-2-(6,7-difluoro-9H-carbazol-2-yl)acetamide
SMILESNC1(c2cccc(NC(=O)Cc3ccc4c(c3)[nH]c3cc(F)c(F)cc34)c2)CCC1
InChIInChI=1S/C24H21F2N3O/c25-19-12-18-17-6-5-14(9-21(17)29-22(18)13-20(19)26)10-23(30)28-16-4-1-3-15(11-16)24(27)7-2-8-24/h1,3-6,9,11-13,29H,2,7-8,10,27H2,(H,28,30)
InChIKeyWFWSXMLLXLQKHE-UHFFFAOYSA-N
MW405.45 g/mol
LogP5.12
Rot. Bonds4

About N-[3-(1-aminocyclobutyl)phenyl]-2-(6,7-difluoro-9H-carbazol-2-yl)acetamide

N-[3-(1-aminocyclobutyl)phenyl]-2-(6,7-difluoro-9H-carbazol-2-yl)acetamide (PubChem CID 163300204) has the molecular formula C24H21F2N3O and a molecular weight of 405.45 g/mol. Its IUPAC name is N-[3-(1-aminocyclobutyl)phenyl]-2-(6,7-difluoro-9H-carbazol-2-yl)acetamide.

Molecular Properties

Compound NameN-[3-(1-aminocyclobutyl)phenyl]-2-(6,7-difluoro-9H-carbazol-2-yl)acetamide
PubChem CID163300204
Molecular FormulaC24H21F2N3O
Molecular Weight405.45 g/mol
Exact Mass405.17
IUPAC NameN-[3-(1-aminocyclobutyl)phenyl]-2-(6,7-difluoro-9H-carbazol-2-yl)acetamide
SMILESNC1(c2cccc(NC(=O)Cc3ccc4c(c3)[nH]c3cc(F)c(F)cc34)c2)CCC1
InChIInChI=1S/C24H21F2N3O/c25-19-12-18-17-6-5-14(9-21(17)29-22(18)13-20(19)26)10-23(30)28-16-4-1-3-15(11-16)24(27)7-2-8-24/h1,3-6,9,11-13,29H,2,7-8,10,27H2,(H,28,30)
InChIKeyWFWSXMLLXLQKHE-UHFFFAOYSA-N
XLogP5.12
TPSA70.91 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.45
LogP ≤ 55.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(aminomethyl)phenyl]-2-(6,7-difluoro-9H-carbazol-2-yl)acetamide
CID 163300217
4-[[2-(7-fluoro-9H-carbazol-2-yl)acetyl]amino]benzoic acid
CID 163300250
2-[3-[[1-(2,6-difluorophenyl)cyclobutanecarbonyl]amino]phenyl]acetic acid
CID 122108126
N-[3-(4-aminooxan-4-yl)phenyl]-2-(7-methyl-1H-indol-3-yl)acetamide
CID 167785543
N-(3,4-difluorophenyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 43024786
2-[3-[[2-(1-aminocyclobutyl)acetyl]amino]phenyl]acetic acid
CID 79854322
N-[3-(bromomethyl)phenyl]-2-(3,4-difluorophenyl)acetamide
CID 114307288
N-[[1-(aminomethyl)cyclopentyl]methyl]-2-(3,4-difluorophenyl)acetamide
CID 115365544
2-[1-(aminomethyl)cyclobutyl]-N-(3-methylsulfanylphenyl)acetamide
CID 81167247
N-(9H-carbazol-2-yl)-2-pyridin-4-ylacetamide
CID 91025258
N-(5-bromonaphthalen-2-yl)-2-(3,4-difluorophenyl)acetamide
CID 146022041
2-(2,3-dihydro-1H-inden-5-yl)-N-[3-[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]acetamide
CID 52502832

Frequently Asked Questions

What is the IUPAC name of N-[3-(1-aminocyclobutyl)phenyl]-2-(6,7-difluoro-9H-carbazol-2-yl)acetamide?
The IUPAC name of N-[3-(1-aminocyclobutyl)phenyl]-2-(6,7-difluoro-9H-carbazol-2-yl)acetamide (CID 163300204) is N-[3-(1-aminocyclobutyl)phenyl]-2-(6,7-difluoro-9H-carbazol-2-yl)acetamide.
What is the SMILES notation for N-[3-(1-aminocyclobutyl)phenyl]-2-(6,7-difluoro-9H-carbazol-2-yl)acetamide?
The canonical SMILES for N-[3-(1-aminocyclobutyl)phenyl]-2-(6,7-difluoro-9H-carbazol-2-yl)acetamide is NC1(c2cccc(NC(=O)Cc3ccc4c(c3)[nH]c3cc(F)c(F)cc34)c2)CCC1.
What is the InChIKey of N-[3-(1-aminocyclobutyl)phenyl]-2-(6,7-difluoro-9H-carbazol-2-yl)acetamide?
The InChIKey is WFWSXMLLXLQKHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F2N3O/c25-19-12-18-17-6-5-14(9-21(17)29-22(18)13-20(19)26)10-23(30)28-16-4-1-3-15(11-16)24(27)7-2-8-24/h1,3-6,9,11-13,29H,2,7-8,10,27H2,(H,28,30).
What are the key properties of N-[3-(1-aminocyclobutyl)phenyl]-2-(6,7-difluoro-9H-carbazol-2-yl)acetamide?
N-[3-(1-aminocyclobutyl)phenyl]-2-(6,7-difluoro-9H-carbazol-2-yl)acetamide has a molecular weight of 405.45 g/mol, XLogP of 5.12, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1-aminocyclobutyl)phenyl]-2-(6,7-difluoro-9H-carbazol-2-yl)acetamide is sourced from PubChem (CID 163300204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).