N-[4-(aminomethyl)phenyl]-2-(6,7-difluoro-9H-carbazol-2-yl)acetamide

C21H17F2N3O — CID 163300217

IUPACN-[4-(aminomethyl)phenyl]-2-(6,7-difluoro-9H-carbazol-2-yl)acetamide
SMILESNCc1ccc(NC(=O)Cc2ccc3c(c2)[nH]c2cc(F)c(F)cc23)cc1
InChIInChI=1S/C21H17F2N3O/c22-17-9-16-15-6-3-13(7-19(15)26-20(16)10-18(17)23)8-21(27)25-14-4-1-12(11-24)2-5-14/h1-7,9-10,26H,8,11,24H2,(H,25,27)
InChIKeyWQPUEKAAAMSYPG-UHFFFAOYSA-N
MW365.38 g/mol
LogP4.24
Rot. Bonds4

About N-[4-(aminomethyl)phenyl]-2-(6,7-difluoro-9H-carbazol-2-yl)acetamide

N-[4-(aminomethyl)phenyl]-2-(6,7-difluoro-9H-carbazol-2-yl)acetamide (PubChem CID 163300217) has the molecular formula C21H17F2N3O and a molecular weight of 365.38 g/mol. Its IUPAC name is N-[4-(aminomethyl)phenyl]-2-(6,7-difluoro-9H-carbazol-2-yl)acetamide.

Molecular Properties

Compound NameN-[4-(aminomethyl)phenyl]-2-(6,7-difluoro-9H-carbazol-2-yl)acetamide
PubChem CID163300217
Molecular FormulaC21H17F2N3O
Molecular Weight365.38 g/mol
Exact Mass365.13
IUPAC NameN-[4-(aminomethyl)phenyl]-2-(6,7-difluoro-9H-carbazol-2-yl)acetamide
SMILESNCc1ccc(NC(=O)Cc2ccc3c(c2)[nH]c2cc(F)c(F)cc23)cc1
InChIInChI=1S/C21H17F2N3O/c22-17-9-16-15-6-3-13(7-19(15)26-20(16)10-18(17)23)8-21(27)25-14-4-1-12(11-24)2-5-14/h1-7,9-10,26H,8,11,24H2,(H,25,27)
InChIKeyWQPUEKAAAMSYPG-UHFFFAOYSA-N
XLogP4.24
TPSA70.91 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.38
LogP ≤ 54.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-(1-aminocyclobutyl)phenyl]-2-(6,7-difluoro-9H-carbazol-2-yl)acetamide
CID 163300204
4-[[2-(7-fluoro-9H-carbazol-2-yl)acetyl]amino]benzoic acid
CID 163300250
N-[4-(aminomethyl)phenyl]-2-(3-hydroxyphenyl)acetamide
CID 61399107
N-[4-(2-aminoethyl)phenyl]-2-(4-fluorophenyl)acetamide
CID 28754531
N-[4-(aminomethyl)phenyl]-2-(4-methylphenyl)acetamide
CID 43152378
N-[4-(bromomethyl)phenyl]-2-(3,4-difluorophenyl)acetamide
CID 114310892
4-[[2-[4-(aminomethyl)phenyl]acetyl]amino]benzamide
CID 63589054
2-[3-(aminomethyl)phenyl]-N-phenylacetamide
CID 154574877
1-[4-(aminomethyl)phenyl]-3-(3,4,5-trifluorophenyl)urea
CID 62811695
N-[4-(2-bromoethyl)phenyl]-2-(3,4-difluorophenyl)acetamide
CID 114310266
2-(3,4-difluorophenyl)-N-[4-(methylaminomethyl)phenyl]acetamide
CID 106909849
N-[4-(aminomethyl)phenyl]-2-(2-fluorophenyl)sulfinylacetamide
CID 81320395

Frequently Asked Questions

What is the IUPAC name of N-[4-(aminomethyl)phenyl]-2-(6,7-difluoro-9H-carbazol-2-yl)acetamide?
The IUPAC name of N-[4-(aminomethyl)phenyl]-2-(6,7-difluoro-9H-carbazol-2-yl)acetamide (CID 163300217) is N-[4-(aminomethyl)phenyl]-2-(6,7-difluoro-9H-carbazol-2-yl)acetamide.
What is the SMILES notation for N-[4-(aminomethyl)phenyl]-2-(6,7-difluoro-9H-carbazol-2-yl)acetamide?
The canonical SMILES for N-[4-(aminomethyl)phenyl]-2-(6,7-difluoro-9H-carbazol-2-yl)acetamide is NCc1ccc(NC(=O)Cc2ccc3c(c2)[nH]c2cc(F)c(F)cc23)cc1.
What is the InChIKey of N-[4-(aminomethyl)phenyl]-2-(6,7-difluoro-9H-carbazol-2-yl)acetamide?
The InChIKey is WQPUEKAAAMSYPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F2N3O/c22-17-9-16-15-6-3-13(7-19(15)26-20(16)10-18(17)23)8-21(27)25-14-4-1-12(11-24)2-5-14/h1-7,9-10,26H,8,11,24H2,(H,25,27).
What are the key properties of N-[4-(aminomethyl)phenyl]-2-(6,7-difluoro-9H-carbazol-2-yl)acetamide?
N-[4-(aminomethyl)phenyl]-2-(6,7-difluoro-9H-carbazol-2-yl)acetamide has a molecular weight of 365.38 g/mol, XLogP of 4.24, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(aminomethyl)phenyl]-2-(6,7-difluoro-9H-carbazol-2-yl)acetamide is sourced from PubChem (CID 163300217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).